Saturday, April 28, 2012

All Chemical Compounds Information




Product OPENEYE NAME: (4S)-2-amino-4-[5-chloro-3-methyl-1-(p-tolyl)pyrazol-4-yl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
CAS Name: (4S)-2-amino-4-[5-chloro-3-methyl-1-(4-methylphenyl)-4-pyrazolyl]-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile
IUPAC NAME: (4S)-2-amino-4-[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
SYSTEMATIC NAME: (4S)-2-azanyl-4-[5-chloranyl-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile
MOLECULAR FORMULA: C21H19ClN4O2
MOLECULAR WEIGHT: 394.85416
SMILES: CC1=CC=C(C=C1)N2C(=C(C(=N2)C)[C@H]3C(=C(OC4=C3C(=O)CCC4)N)C#N)Cl
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Product OPENEYE NAME: (4R)-2-amino-4-[5-chloro-3-methyl-1-(p-tolyl)pyrazol-4-yl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
CAS Name: (4R)-2-amino-4-[5-chloro-3-methyl-1-(4-methylphenyl)-4-pyrazolyl]-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile
IUPAC NAME: (4R)-2-amino-4-[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
SYSTEMATIC NAME: (4R)-2-azanyl-4-[5-chloranyl-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile
MOLECULAR FORMULA: C21H19ClN4O2
MOLECULAR WEIGHT: 394.85416
SMILES: CC1=CC=C(C=C1)N2C(=C(C(=N2)C)[C@@H]3C(=C(OC4=C3C(=O)CCC4)N)C#N)Cl
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Product OPENEYE NAME: (4R)-6-amino-4-[5-chloro-3-methyl-1-(p-tolyl)pyrazol-4-yl]-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CAS Name: (4R)-6-amino-4-[5-chloro-3-methyl-1-(4-methylphenyl)-4-pyrazolyl]-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
IUPAC NAME: (4R)-6-amino-4-[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SYSTEMATIC NAME: (4R)-6-azanyl-4-[5-chloranyl-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
MOLECULAR FORMULA: C21H21ClN6O
MOLECULAR WEIGHT: 408.88404
SMILES: CCCC1=C2[C@@H](C(=C(OC2=NN1)N)C#N)C3=C(N(N=C3C)C4=CC=C(C=C4)C)Cl
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Product OPENEYE NAME: (4S)-6-amino-4-[5-chloro-3-methyl-1-(p-tolyl)pyrazol-4-yl]-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CAS Name: (4S)-6-amino-4-[5-chloro-3-methyl-1-(4-methylphenyl)-4-pyrazolyl]-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
IUPAC NAME: (4S)-6-amino-4-[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SYSTEMATIC NAME: (4S)-6-azanyl-4-[5-chloranyl-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
MOLECULAR FORMULA: C21H21ClN6O
MOLECULAR WEIGHT: 408.88404
SMILES: CCCC1=C2[C@H](C(=C(OC2=NN1)N)C#N)C3=C(N(N=C3C)C4=CC=C(C=C4)C)Cl
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Product OPENEYE NAME: ethyl (4R)-6-amino-4-[5-chloro-3-methyl-1-(p-tolyl)pyrazol-4-yl]-5-cyano-2-methyl-4H-pyran-3-carboxylate
CAS Name: (4R)-6-amino-4-[5-chloro-3-methyl-1-(4-methylphenyl)-4-pyrazolyl]-5-cyano-2-methyl-4H-pyran-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl (4R)-6-amino-4-[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-5-cyano-2-methyl-4H-pyran-3-carboxylate
SYSTEMATIC NAME: ethyl (4R)-6-azanyl-4-[5-chloranyl-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-5-cyano-2-methyl-4H-pyran-3-carboxylate
MOLECULAR FORMULA: C21H21ClN4O3
MOLECULAR WEIGHT: 412.86944
SMILES: CCOC(=O)C1=C(OC(=C([C@H]1C2=C(N(N=C2C)C3=CC=C(C=C3)C)Cl)C#N)N)C
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Product OPENEYE NAME: ethyl (4S)-6-amino-4-[5-chloro-3-methyl-1-(p-tolyl)pyrazol-4-yl]-5-cyano-2-methyl-4H-pyran-3-carboxylate
CAS Name: (4S)-6-amino-4-[5-chloro-3-methyl-1-(4-methylphenyl)-4-pyrazolyl]-5-cyano-2-methyl-4H-pyran-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl (4S)-6-amino-4-[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-5-cyano-2-methyl-4H-pyran-3-carboxylate
SYSTEMATIC NAME: ethyl (4S)-6-azanyl-4-[5-chloranyl-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-5-cyano-2-methyl-4H-pyran-3-carboxylate
MOLECULAR FORMULA: C21H21ClN4O3
MOLECULAR WEIGHT: 412.86944
SMILES: CCOC(=O)C1=C(OC(=C([C@@H]1C2=C(N(N=C2C)C3=CC=C(C=C3)C)Cl)C#N)N)C
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Product OPENEYE NAME: ethyl (4S)-2-amino-4-(2-chloro-6-fluoro-phenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carboxylate
CAS Name: (4S)-2-amino-4-(2-chloro-6-fluorophenyl)-5-oxo-4H-pyrano[3,2-c][1]benzopyran-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl (4S)-2-amino-4-(2-chloro-6-fluorophenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carboxylate
SYSTEMATIC NAME: ethyl (4S)-2-azanyl-4-(2-chloranyl-6-fluoranyl-phenyl)-5-oxidanylidene-4H-pyrano[3,2-c]chromene-3-carboxylate
MOLECULAR FORMULA: C21H15ClFNO5
MOLECULAR WEIGHT: 415.798903
SMILES: CCOC(=O)C1=C(OC2=C([C@@H]1C3=C(C=CC=C3Cl)F)C(=O)OC4=CC=CC=C42)N
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Product OPENEYE NAME: 3-amino-N-(4-methoxyphenyl)-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CAS Name: 3-amino-N-(4-methoxyphenyl)-6-methyl-4-(trifluoromethyl)-2-thieno[2,3-b]pyridinecarboxamide
IUPAC NAME: 3-amino-N-(4-methoxyphenyl)-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SYSTEMATIC NAME: 3-azanyl-N-(4-methoxyphenyl)-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
MOLECULAR FORMULA: C17H14F3N3O2S
MOLECULAR WEIGHT: 381.37217
SMILES: CC1=NC2=C(C(=C1)C(F)(F)F)C(=C(S2)C(=O)NC3=CC=C(C=C3)OC)N
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Product OPENEYE NAME: 4-amino-2-anilino-5-(thiophene-2-carbonyl)thiophene-3-carbonitrile
CAS Name: 4-amino-2-anilino-5-[oxo(thiophen-2-yl)methyl]-3-thiophenecarbonitrile
IUPAC NAME: 4-amino-2-anilino-5-(thiophene-2-carbonyl)thiophene-3-carbonitrile
SYSTEMATIC NAME: 4-azanyl-2-phenylazanyl-5-thiophen-2-ylcarbonyl-thiophene-3-carbonitrile
MOLECULAR FORMULA: C16H11N3OS2
MOLECULAR WEIGHT: 325.40804
SMILES: C1=CC=C(C=C1)NC2=C(C(=C(S2)C(=O)C3=CC=CS3)N)C#N
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Product OPENEYE NAME: (2R,3R,10bS)-3-acetyl-2-(4-fluorophenyl)-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile
CAS Name: (2R,3R,10bS)-3-acetyl-2-(4-fluorophenyl)-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile
IUPAC NAME: (2R,3R,10bS)-3-acetyl-2-(4-fluorophenyl)-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile
SYSTEMATIC NAME: (2R,3R,10bS)-3-ethanoyl-2-(4-fluorophenyl)-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile
MOLECULAR FORMULA: C22H16FN3O
MOLECULAR WEIGHT: 357.380343
SMILES: CC(=O)[C@H]1[C@@H](C([C@H]2N1C=CC3=CC=CC=C23)(C#N)C#N)C4=CC=C(C=C4)F
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Product OPENEYE NAME: (1R,2R,3aR)-1-(4-fluorobenzoyl)-2-(3-pyridyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile
CAS Name: (1R,2R,3aR)-1-[(4-fluorophenyl)-oxomethyl]-2-(3-pyridinyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile
IUPAC NAME: (1R,2R,3aR)-1-(4-fluorobenzoyl)-2-pyridin-3-yl-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile
SYSTEMATIC NAME: (1R,2R,3aR)-1-(4-fluorophenyl)carbonyl-2-pyridin-3-yl-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile
MOLECULAR FORMULA: C26H17FN4O
MOLECULAR WEIGHT: 420.437783
SMILES: C1=CC=C2C(=C1)C=C[C@H]3N2[C@H]([C@@H](C3(C#N)C#N)C4=CN=CC=C4)C(=O)C5=CC=C(C=C5)F
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Product OPENEYE NAME: methyl 4-[(1R,2R,3aS)-1-acetyl-3,3-dicyano-2,3a-dihydro-1H-pyrrolo[1,2-a]quinolin-2-yl]benzoate
CAS Name: 4-[(1R,2R,3aS)-1-acetyl-3,3-dicyano-2,3a-dihydro-1H-pyrrolo[1,2-a]quinolin-2-yl]benzoic acid methyl ester
IUPAC NAME: methyl 4-[(1R,2R,3aS)-1-acetyl-3,3-dicyano-2,3a-dihydro-1H-pyrrolo[1,2-a]quinolin-2-yl]benzoate
SYSTEMATIC NAME: methyl 4-[(1R,2R,3aS)-3,3-dicyano-1-ethanoyl-2,3a-dihydro-1H-pyrrolo[1,2-a]quinolin-2-yl]benzoate
MOLECULAR FORMULA: C24H19N3O3
MOLECULAR WEIGHT: 397.42596
SMILES: CC(=O)[C@H]1[C@@H](C([C@H]2N1C3=CC=CC=C3C=C2)(C#N)C#N)C4=CC=C(C=C4)C(=O)OC
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Product OPENEYE NAME: ethyl (8R,8aS)-6-amino-5,7,7-tricyano-8-(3-furyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
CAS Name: (8R,8aS)-6-amino-5,7,7-tricyano-8-(3-furanyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid ethyl ester
IUPAC NAME: ethyl (8R,8aS)-6-amino-5,7,7-tricyano-8-(furan-3-yl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
SYSTEMATIC NAME: ethyl (8R,8aS)-6-azanyl-5,7,7-tricyano-8-(furan-3-yl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
MOLECULAR FORMULA: C19H17N5O3
MOLECULAR WEIGHT: 363.36998
SMILES: CCOC(=O)N1CC=C2[C@@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=COC=C3
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Product OPENEYE NAME: ethyl (8R,8aR)-6-amino-5,7,7-tricyano-8-(3-furyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
CAS Name: (8R,8aR)-6-amino-5,7,7-tricyano-8-(3-furanyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid ethyl ester
IUPAC NAME: ethyl (8R,8aR)-6-amino-5,7,7-tricyano-8-(furan-3-yl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
SYSTEMATIC NAME: ethyl (8R,8aR)-6-azanyl-5,7,7-tricyano-8-(furan-3-yl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
MOLECULAR FORMULA: C19H17N5O3
MOLECULAR WEIGHT: 363.36998
SMILES: CCOC(=O)N1CC=C2[C@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=COC=C3
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Product OPENEYE NAME: ethyl (8S,8aS)-6-amino-5,7,7-tricyano-8-(3-furyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
CAS Name: (8S,8aS)-6-amino-5,7,7-tricyano-8-(3-furanyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid ethyl ester
IUPAC NAME: ethyl (8S,8aS)-6-amino-5,7,7-tricyano-8-(furan-3-yl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
SYSTEMATIC NAME: ethyl (8S,8aS)-6-azanyl-5,7,7-tricyano-8-(furan-3-yl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
MOLECULAR FORMULA: C19H17N5O3
MOLECULAR WEIGHT: 363.36998
SMILES: CCOC(=O)N1CC=C2[C@@H](C1)[C@@H](C(C(=C2C#N)N)(C#N)C#N)C3=COC=C3
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Product OPENEYE NAME: (8S,8aS)-6-amino-8-(3-furyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
CAS Name: (8S,8aS)-6-amino-8-(3-furanyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
IUPAC NAME: (8S,8aS)-6-amino-8-(furan-3-yl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
SYSTEMATIC NAME: (8S,8aS)-6-azanyl-8-(furan-3-yl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
MOLECULAR FORMULA: C17H15N5O
MOLECULAR WEIGHT: 305.3339
SMILES: CN1CC=C2[C@@H](C1)[C@@H](C(C(=C2C#N)N)(C#N)C#N)C3=COC=C3
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Product OPENEYE NAME: (8R,8aS)-2-acetyl-6-amino-8-(3-furyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
CAS Name: (8R,8aS)-2-acetyl-6-amino-8-(3-furanyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
IUPAC NAME: (8R,8aS)-2-acetyl-6-amino-8-(furan-3-yl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
SYSTEMATIC NAME: (8R,8aS)-6-azanyl-2-ethanoyl-8-(furan-3-yl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
MOLECULAR FORMULA: C18H15N5O2
MOLECULAR WEIGHT: 333.344
SMILES: CC(=O)N1CC=C2[C@@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=COC=C3
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Product OPENEYE NAME: (8S,8aS)-2-acetyl-6-amino-8-(3-furyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
CAS Name: (8S,8aS)-2-acetyl-6-amino-8-(3-furanyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
IUPAC NAME: (8S,8aS)-2-acetyl-6-amino-8-(furan-3-yl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
SYSTEMATIC NAME: (8S,8aS)-6-azanyl-2-ethanoyl-8-(furan-3-yl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
MOLECULAR FORMULA: C18H15N5O2
MOLECULAR WEIGHT: 333.344
SMILES: CC(=O)N1CC=C2[C@@H](C1)[C@@H](C(C(=C2C#N)N)(C#N)C#N)C3=COC=C3
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Product OPENEYE NAME: (4S)-2-amino-4-(7-methoxy-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile
CAS Name: (4S)-2-amino-4-(7-methoxy-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile
IUPAC NAME: (4S)-2-amino-4-(7-methoxy-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile
SYSTEMATIC NAME: (4S)-2-azanyl-4-(7-methoxy-1,3-benzodioxol-5-yl)-7-methyl-5-oxidanylidene-4H-pyrano[3,2-c]pyran-3-carbonitrile
MOLECULAR FORMULA: C18H14N2O6
MOLECULAR WEIGHT: 354.31356
SMILES: CC1=CC2=C([C@H](C(=C(O2)N)C#N)C3=CC4=C(C(=C3)OC)OCO4)C(=O)O1
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Product OPENEYE NAME: 2,6-diamino-4-(4-methoxy-1-naphthyl)-4H-thiopyran-3,5-dicarbonitrile
CAS Name: 2,6-diamino-4-(4-methoxy-1-naphthalenyl)-4H-thiopyran-3,5-dicarbonitrile
IUPAC NAME: 2,6-diamino-4-(4-methoxynaphthalen-1-yl)-4H-thiopyran-3,5-dicarbonitrile
SYSTEMATIC NAME: 2,6-bis(azanyl)-4-(4-methoxynaphthalen-1-yl)-4H-thiopyran-3,5-dicarbonitrile
MOLECULAR FORMULA: C18H14N4OS
MOLECULAR WEIGHT: 334.39496
SMILES: COC1=CC=C(C2=CC=CC=C21)C3C(=C(SC(=C3C#N)N)N)C#N
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