Test
CAS: 29094-61-9 Molecular Formula: C21H27N5O4S Molecular Weight (g/mol): 445.54 InChI Key: ZJJXGWJIGJFDTL-UHFFFAOYSA-N IUPAC Name: N-[2-(4-{[(cyclohexylcarbamoyl)amino]sulfonyl}phenyl)ethyl]-5-methylpyrazine-2-carboxamide SMILES: CC1=CN=C(C=N1)C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCC1
CAS | 29094-61-9 |
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Molecular Weight (g/mol) | 445.54 |
SMILES | CC1=CN=C(C=N1)C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCC1 |
IUPAC Name | N-[2-(4-{[(cyclohexylcarbamoyl)amino]sulfonyl}phenyl)ethyl]-5-methylpyrazine-2-carboxamide |
InChI Key | ZJJXGWJIGJFDTL-UHFFFAOYSA-N |
Molecular Formula | C21H27N5O4S |
CAS: 29122-68-7 Molecular Formula: C14H22N2O3 Molecular Weight (g/mol): 266.34 InChI Key: METKIMKYRPQLGS-UHFFFAOYNA-N IUPAC Name: 2-(4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)acetamide SMILES: CC(C)NCC(O)COC1=CC=C(CC(N)=O)C=C1
CAS | 29122-68-7 |
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Molecular Weight (g/mol) | 266.34 |
SMILES | CC(C)NCC(O)COC1=CC=C(CC(N)=O)C=C1 |
IUPAC Name | 2-(4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)acetamide |
InChI Key | METKIMKYRPQLGS-UHFFFAOYNA-N |
Molecular Formula | C14H22N2O3 |
CAS: 123-31-9 Molecular Formula: C6H6O2 Molecular Weight (g/mol): 110.11 InChI Key: QIGBRXMKCJKVMJ-UHFFFAOYSA-N IUPAC Name: benzene-1,4-diol SMILES: OC1=CC=C(O)C=C1
CAS | 123-31-9 |
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Molecular Weight (g/mol) | 110.11 |
SMILES | OC1=CC=C(O)C=C1 |
IUPAC Name | benzene-1,4-diol |
InChI Key | QIGBRXMKCJKVMJ-UHFFFAOYSA-N |
Molecular Formula | C6H6O2 |
CAS: 171599-83-0 Molecular Formula: C28H38N6O11S Molecular Weight (g/mol): 666.70 InChI Key: DEIYFTQMQPDXOT-UHFFFAOYSA-N IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 5-{2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-1-methyl-3-propyl-1H,4H,7H-pyrazolo[4,3-d]pyrimidin-7-one SMILES: OC(=O)CC(O)(CC(O)=O)C(O)=O.CCCC1=NN(C)C2=C1NC(=NC2=O)C1=CC(=CC=C1OCC)S(=O)(=O)N1CCN(C)CC1
CAS | 171599-83-0 |
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Molecular Weight (g/mol) | 666.70 |
SMILES | OC(=O)CC(O)(CC(O)=O)C(O)=O.CCCC1=NN(C)C2=C1NC(=NC2=O)C1=CC(=CC=C1OCC)S(=O)(=O)N1CCN(C)CC1 |
IUPAC Name | 2-hydroxypropane-1,2,3-tricarboxylic acid; 5-{2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-1-methyl-3-propyl-1H,4H,7H-pyrazolo[4,3-d]pyrimidin-7-one |
InChI Key | DEIYFTQMQPDXOT-UHFFFAOYSA-N |
Molecular Formula | C28H38N6O11S |
CAS: 1104-22-9 Molecular Formula: C25H29Cl3N2 Molecular Weight (g/mol): 463.87 InChI Key: VCTHNOIYJIXQLV-UHFFFAOYNA-N IUPAC Name: dihydrogen 1-[(4-chlorophenyl)(phenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine dichloride SMILES: [H+].[H+].[Cl-].[Cl-].CC1=CC=CC(CN2CCN(CC2)C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)=C1
CAS | 1104-22-9 |
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Molecular Weight (g/mol) | 463.87 |
SMILES | [H+].[H+].[Cl-].[Cl-].CC1=CC=CC(CN2CCN(CC2)C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)=C1 |
IUPAC Name | dihydrogen 1-[(4-chlorophenyl)(phenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine dichloride |
InChI Key | VCTHNOIYJIXQLV-UHFFFAOYNA-N |
Molecular Formula | C25H29Cl3N2 |
CAS: 152-11-4 Molecular Formula: C27H39ClN2O4 Molecular Weight (g/mol): 491.07 InChI Key: DOQPXTMNIUCOSY-UHFFFAOYNA-N IUPAC Name: hydrogen 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile chloride SMILES: [H+].[Cl-].COC1=CC=C(CCN(C)CCCC(C#N)(C(C)C)C2=CC=C(OC)C(OC)=C2)C=C1OC
CAS | 152-11-4 |
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Molecular Weight (g/mol) | 491.07 |
SMILES | [H+].[Cl-].COC1=CC=C(CCN(C)CCCC(C#N)(C(C)C)C2=CC=C(OC)C(OC)=C2)C=C1OC |
IUPAC Name | hydrogen 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile chloride |
InChI Key | DOQPXTMNIUCOSY-UHFFFAOYNA-N |
Molecular Formula | C27H39ClN2O4 |
CAS: 121-54-0 Molecular Formula: C27H42ClNO2 Molecular Weight (g/mol): 448.09 InChI Key: UREZNYTWGJKWBI-UHFFFAOYSA-M IUPAC Name: benzyldimethyl(2-{2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}ethyl)azanium chloride SMILES: [Cl-].CC(C)(C)CC(C)(C)C1=CC=C(OCCOCC[N+](C)(C)CC2=CC=CC=C2)C=C1
CAS | 121-54-0 |
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Molecular Weight (g/mol) | 448.09 |
SMILES | [Cl-].CC(C)(C)CC(C)(C)C1=CC=C(OCCOCC[N+](C)(C)CC2=CC=CC=C2)C=C1 |
IUPAC Name | benzyldimethyl(2-{2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}ethyl)azanium chloride |
InChI Key | UREZNYTWGJKWBI-UHFFFAOYSA-M |
Molecular Formula | C27H42ClNO2 |
CAS: 34552-83-5 Molecular Formula: C29H34Cl2N2O2 Molecular Weight (g/mol): 513.50 InChI Key: PGYPOBZJRVSMDS-UHFFFAOYSA-N IUPAC Name: hydrogen 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide chloride SMILES: [H+].[Cl-].CN(C)C(=O)C(CCN1CCC(O)(CC1)C1=CC=C(Cl)C=C1)(C1=CC=CC=C1)C1=CC=CC=C1
CAS | 34552-83-5 |
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Molecular Weight (g/mol) | 513.50 |
SMILES | [H+].[Cl-].CN(C)C(=O)C(CCN1CCC(O)(CC1)C1=CC=C(Cl)C=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
IUPAC Name | hydrogen 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide chloride |
InChI Key | PGYPOBZJRVSMDS-UHFFFAOYSA-N |
Molecular Formula | C29H34Cl2N2O2 |
CAS: 549-18-8 Molecular Formula: C20H24ClN Molecular Weight (g/mol): 313.87 InChI Key: KFYRPLNVJVHZGT-UHFFFAOYSA-N IUPAC Name: hydrogen dimethyl(3-{tricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaen-2-ylidene}propyl)amine chloride SMILES: [H+].[Cl-].CN(C)CCC=C1C2=CC=CC=C2CCC2=CC=CC=C12
CAS | 549-18-8 |
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Molecular Weight (g/mol) | 313.87 |
SMILES | [H+].[Cl-].CN(C)CCC=C1C2=CC=CC=C2CCC2=CC=CC=C12 |
IUPAC Name | hydrogen dimethyl(3-{tricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaen-2-ylidene}propyl)amine chloride |
InChI Key | KFYRPLNVJVHZGT-UHFFFAOYSA-N |
Molecular Formula | C20H24ClN |
CAS: 894713 Molecular Formula: C19H22ClN Molecular Weight (g/mol): 299.84 MDL Number: MFCD00058024 InChI Key: SHAYBENGXDALFF-UHFFFAOYSA-N IUPAC Name: hydrogen methyl(3-{tricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaen-2-ylidene}propyl)amine chloride SMILES: [H+].[Cl-].CNCCC=C1C2=CC=CC=C2CCC2=CC=CC=C12
CAS | 894713 |
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Molecular Weight (g/mol) | 299.84 |
MDL Number | MFCD00058024 |
SMILES | [H+].[Cl-].CNCCC=C1C2=CC=CC=C2CCC2=CC=CC=C12 |
IUPAC Name | hydrogen methyl(3-{tricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaen-2-ylidene}propyl)amine chloride |
InChI Key | SHAYBENGXDALFF-UHFFFAOYSA-N |
Molecular Formula | C19H22ClN |
CAS: 329-63-5 Molecular Formula: C9H14ClNO3 Molecular Weight (g/mol): 219.67 InChI Key: ATADHKWKHYVBTJ-UHFFFAOYNA-N IUPAC Name: hydrogen 4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol chloride SMILES: [H+].[Cl-].CNCC(O)C1=CC=C(O)C(O)=C1
CAS | 329-63-5 |
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Molecular Weight (g/mol) | 219.67 |
SMILES | [H+].[Cl-].CNCC(O)C1=CC=C(O)C(O)=C1 |
IUPAC Name | hydrogen 4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol chloride |
InChI Key | ATADHKWKHYVBTJ-UHFFFAOYNA-N |
Molecular Formula | C9H14ClNO3 |
CAS: 23593-75-1 Molecular Formula: C22H17ClN2 Molecular Weight (g/mol): 344.84 InChI Key: VNFPBHJOKIVQEB-UHFFFAOYSA-N IUPAC Name: 1-[(2-chlorophenyl)diphenylmethyl]-1H-imidazole SMILES: ClC1=CC=CC=C1C(N1C=CN=C1)(C1=CC=CC=C1)C1=CC=CC=C1
CAS | 23593-75-1 |
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Molecular Weight (g/mol) | 344.84 |
SMILES | ClC1=CC=CC=C1C(N1C=CN=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
IUPAC Name | 1-[(2-chlorophenyl)diphenylmethyl]-1H-imidazole |
InChI Key | VNFPBHJOKIVQEB-UHFFFAOYSA-N |
Molecular Formula | C22H17ClN2 |
CAS: 103-90-2 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.17 MDL Number: MFCD00002328 InChI Key: RZVAJINKPMORJF-UHFFFAOYSA-N IUPAC Name: N-(4-hydroxyphenyl)acetamide SMILES: CC(=O)NC1=CC=C(O)C=C1
CAS | 103-90-2 |
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Molecular Weight (g/mol) | 151.17 |
MDL Number | MFCD00002328 |
SMILES | CC(=O)NC1=CC=C(O)C=C1 |
IUPAC Name | N-(4-hydroxyphenyl)acetamide |
InChI Key | RZVAJINKPMORJF-UHFFFAOYSA-N |
Molecular Formula | C8H9NO2 |
CAS: 120-51-4 Molecular Formula: C14H12O2 Molecular Weight (g/mol): 212.25 MDL Number: MFCD00003075 InChI Key: SESFRYSPDFLNCH-UHFFFAOYSA-N IUPAC Name: benzyl benzoate SMILES: O=C(OCC1=CC=CC=C1)C1=CC=CC=C1
CAS | 120-51-4 |
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Molecular Weight (g/mol) | 212.25 |
MDL Number | MFCD00003075 |
SMILES | O=C(OCC1=CC=CC=C1)C1=CC=CC=C1 |
IUPAC Name | benzyl benzoate |
InChI Key | SESFRYSPDFLNCH-UHFFFAOYSA-N |
Molecular Formula | C14H12O2 |
CAS: 83-73-8 Molecular Formula: C9H5I2NO Molecular Weight (g/mol): 396.95 InChI Key: UXZFQZANDVDGMM-UHFFFAOYSA-N IUPAC Name: 5,7-diiodoquinolin-8-ol SMILES: OC1=C2N=CC=CC2=C(I)C=C1I
CAS | 83-73-8 |
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Molecular Weight (g/mol) | 396.95 |
SMILES | OC1=C2N=CC=CC2=C(I)C=C1I |
IUPAC Name | 5,7-diiodoquinolin-8-ol |
InChI Key | UXZFQZANDVDGMM-UHFFFAOYSA-N |
Molecular Formula | C9H5I2NO |