Saturday, April 28, 2012

All Chemical Compounds Information




Product OPENEYE NAME: (8R,8aS)-6-amino-8-(6-chloro-1,3-benzodioxol-5-yl)-2-ethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
CAS Name: (8R,8aS)-6-amino-8-(6-chloro-1,3-benzodioxol-5-yl)-2-ethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
IUPAC NAME: (8R,8aS)-6-amino-8-(6-chloro-1,3-benzodioxol-5-yl)-2-ethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
SYSTEMATIC NAME: (8R,8aS)-6-azanyl-8-(6-chloranyl-1,3-benzodioxol-5-yl)-2-ethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
MOLECULAR FORMULA: C21H18ClN5O2
MOLECULAR WEIGHT: 407.85292
SMILES: CCN1CC=C2[C@@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC4=C(C=C3Cl)OCO4
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Product OPENEYE NAME: (4R)-2-amino-4-(3,5-dimethoxyphenyl)-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile
CAS Name: (4R)-2-amino-4-(3,5-dimethoxyphenyl)-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile
IUPAC NAME: (4R)-2-amino-4-(3,5-dimethoxyphenyl)-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile
SYSTEMATIC NAME: (4R)-2-azanyl-4-(3,5-dimethoxyphenyl)-5-oxidanylidene-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile
MOLECULAR FORMULA: C21H17N3O4
MOLECULAR WEIGHT: 375.37738
SMILES: COC1=CC(=CC(=C1)[C@@H]2C(=C(OC3=C2C(=O)NC4=CC=CC=C43)N)C#N)OC
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Product OPENEYE NAME: (4S)-2-amino-4-(3,5-dimethoxyphenyl)-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile
CAS Name: (4S)-2-amino-4-(3,5-dimethoxyphenyl)-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile
IUPAC NAME: (4S)-2-amino-4-(3,5-dimethoxyphenyl)-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile
SYSTEMATIC NAME: (4S)-2-azanyl-4-(3,5-dimethoxyphenyl)-5-oxidanylidene-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile
MOLECULAR FORMULA: C21H17N3O4
MOLECULAR WEIGHT: 375.37738
SMILES: COC1=CC(=CC(=C1)[C@H]2C(=C(OC3=C2C(=O)NC4=CC=CC=C43)N)C#N)OC
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Product OPENEYE NAME: (8R,8aS)-2-acetyl-6-amino-8-(4-methoxy-1-naphthyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
CAS Name: (8R,8aS)-2-acetyl-6-amino-8-(4-methoxy-1-naphthalenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
IUPAC NAME: (8R,8aS)-2-acetyl-6-amino-8-(4-methoxynaphthalen-1-yl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
SYSTEMATIC NAME: (8R,8aS)-6-azanyl-2-ethanoyl-8-(4-methoxynaphthalen-1-yl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
MOLECULAR FORMULA: C25H21N5O2
MOLECULAR WEIGHT: 423.46654
SMILES: CC(=O)N1CC=C2[C@@H](C1)[C@@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC=C(C4=CC=CC=C34)OC
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Product OPENEYE NAME: (8R,8aR)-2-acetyl-6-amino-8-(4-methoxy-1-naphthyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
CAS Name: (8R,8aR)-2-acetyl-6-amino-8-(4-methoxy-1-naphthalenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
IUPAC NAME: (8R,8aR)-2-acetyl-6-amino-8-(4-methoxynaphthalen-1-yl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
SYSTEMATIC NAME: (8R,8aR)-6-azanyl-2-ethanoyl-8-(4-methoxynaphthalen-1-yl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
MOLECULAR FORMULA: C25H21N5O2
MOLECULAR WEIGHT: 423.46654
SMILES: CC(=O)N1CC=C2[C@H](C1)[C@@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC=C(C4=CC=CC=C34)OC
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Product OPENEYE NAME: ethyl (4S)-6-amino-4-(3-chlorophenyl)-5-cyano-2-(2-ethoxy-2-oxo-ethyl)-4H-pyran-3-carboxylate
CAS Name: (4S)-6-amino-4-(3-chlorophenyl)-5-cyano-2-(2-ethoxy-2-oxoethyl)-4H-pyran-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl (4S)-6-amino-4-(3-chlorophenyl)-5-cyano-2-(2-ethoxy-2-oxoethyl)-4H-pyran-3-carboxylate
SYSTEMATIC NAME: ethyl (4S)-6-azanyl-4-(3-chlorophenyl)-5-cyano-2-(2-ethoxy-2-oxidanylidene-ethyl)-4H-pyran-3-carboxylate
MOLECULAR FORMULA: C19H19ClN2O5
MOLECULAR WEIGHT: 390.81756
SMILES: CCOC(=O)CC1=C([C@H](C(=C(O1)N)C#N)C2=CC(=CC=C2)Cl)C(=O)OCC
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Product OPENEYE NAME: ethyl (4R)-6-amino-4-(3-chlorophenyl)-5-cyano-2-(2-ethoxy-2-oxo-ethyl)-4H-pyran-3-carboxylate
CAS Name: (4R)-6-amino-4-(3-chlorophenyl)-5-cyano-2-(2-ethoxy-2-oxoethyl)-4H-pyran-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl (4R)-6-amino-4-(3-chlorophenyl)-5-cyano-2-(2-ethoxy-2-oxoethyl)-4H-pyran-3-carboxylate
SYSTEMATIC NAME: ethyl (4R)-6-azanyl-4-(3-chlorophenyl)-5-cyano-2-(2-ethoxy-2-oxidanylidene-ethyl)-4H-pyran-3-carboxylate
MOLECULAR FORMULA: C19H19ClN2O5
MOLECULAR WEIGHT: 390.81756
SMILES: CCOC(=O)CC1=C([C@@H](C(=C(O1)N)C#N)C2=CC(=CC=C2)Cl)C(=O)OCC
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Product OPENEYE NAME: methyl (4S)-6-amino-4-(3-chlorophenyl)-5-cyano-2-(2-methoxy-2-oxo-ethyl)-4H-pyran-3-carboxylate
CAS Name: (4S)-6-amino-4-(3-chlorophenyl)-5-cyano-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylic acid methyl ester
IUPAC NAME: methyl (4S)-6-amino-4-(3-chlorophenyl)-5-cyano-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylate
SYSTEMATIC NAME: methyl (4S)-6-azanyl-4-(3-chlorophenyl)-5-cyano-2-(2-methoxy-2-oxidanylidene-ethyl)-4H-pyran-3-carboxylate
MOLECULAR FORMULA: C17H15ClN2O5
MOLECULAR WEIGHT: 362.7644
SMILES: COC(=O)CC1=C([C@H](C(=C(O1)N)C#N)C2=CC(=CC=C2)Cl)C(=O)OC
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Product OPENEYE NAME: methyl (4R)-6-amino-4-(3-chlorophenyl)-5-cyano-2-(2-methoxy-2-oxo-ethyl)-4H-pyran-3-carboxylate
CAS Name: (4R)-6-amino-4-(3-chlorophenyl)-5-cyano-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylic acid methyl ester
IUPAC NAME: methyl (4R)-6-amino-4-(3-chlorophenyl)-5-cyano-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylate
SYSTEMATIC NAME: methyl (4R)-6-azanyl-4-(3-chlorophenyl)-5-cyano-2-(2-methoxy-2-oxidanylidene-ethyl)-4H-pyran-3-carboxylate
MOLECULAR FORMULA: C17H15ClN2O5
MOLECULAR WEIGHT: 362.7644
SMILES: COC(=O)CC1=C([C@@H](C(=C(O1)N)C#N)C2=CC(=CC=C2)Cl)C(=O)OC
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Product OPENEYE NAME: methyl (4S)-6-amino-5-cyano-4-(4-methoxycarbonylphenyl)-2-(2-methoxy-2-oxo-ethyl)-4H-pyran-3-carboxylate
CAS Name: (4S)-6-amino-5-cyano-4-(4-methoxycarbonylphenyl)-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylic acid methyl ester
IUPAC NAME: methyl (4S)-6-amino-5-cyano-4-(4-methoxycarbonylphenyl)-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylate
SYSTEMATIC NAME: methyl (4S)-6-azanyl-5-cyano-4-(4-methoxycarbonylphenyl)-2-(2-methoxy-2-oxidanylidene-ethyl)-4H-pyran-3-carboxylate
MOLECULAR FORMULA: C19H18N2O7
MOLECULAR WEIGHT: 386.35542
SMILES: COC(=O)CC1=C([C@H](C(=C(O1)N)C#N)C2=CC=C(C=C2)C(=O)OC)C(=O)OC
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Product OPENEYE NAME: methyl (4R)-6-amino-5-cyano-4-(4-methoxycarbonylphenyl)-2-(2-methoxy-2-oxo-ethyl)-4H-pyran-3-carboxylate
CAS Name: (4R)-6-amino-5-cyano-4-(4-methoxycarbonylphenyl)-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylic acid methyl ester
IUPAC NAME: methyl (4R)-6-amino-5-cyano-4-(4-methoxycarbonylphenyl)-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylate
SYSTEMATIC NAME: methyl (4R)-6-azanyl-5-cyano-4-(4-methoxycarbonylphenyl)-2-(2-methoxy-2-oxidanylidene-ethyl)-4H-pyran-3-carboxylate
MOLECULAR FORMULA: C19H18N2O7
MOLECULAR WEIGHT: 386.35542
SMILES: COC(=O)CC1=C([C@@H](C(=C(O1)N)C#N)C2=CC=C(C=C2)C(=O)OC)C(=O)OC
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Product OPENEYE NAME: methyl (4S)-6-amino-5-cyano-4-(3,4-dimethoxyphenyl)-2-(2-methoxy-2-oxo-ethyl)-4H-pyran-3-carboxylate
CAS Name: (4S)-6-amino-5-cyano-4-(3,4-dimethoxyphenyl)-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylic acid methyl ester
IUPAC NAME: methyl (4S)-6-amino-5-cyano-4-(3,4-dimethoxyphenyl)-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylate
SYSTEMATIC NAME: methyl (4S)-6-azanyl-5-cyano-4-(3,4-dimethoxyphenyl)-2-(2-methoxy-2-oxidanylidene-ethyl)-4H-pyran-3-carboxylate
MOLECULAR FORMULA: C19H20N2O7
MOLECULAR WEIGHT: 388.3713
SMILES: COC1=C(C=C(C=C1)[C@H]2C(=C(OC(=C2C(=O)OC)CC(=O)OC)N)C#N)OC
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Product OPENEYE NAME: methyl (4R)-6-amino-5-cyano-4-(3,4-dimethoxyphenyl)-2-(2-methoxy-2-oxo-ethyl)-4H-pyran-3-carboxylate
CAS Name: (4R)-6-amino-5-cyano-4-(3,4-dimethoxyphenyl)-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylic acid methyl ester
IUPAC NAME: methyl (4R)-6-amino-5-cyano-4-(3,4-dimethoxyphenyl)-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylate
SYSTEMATIC NAME: methyl (4R)-6-azanyl-5-cyano-4-(3,4-dimethoxyphenyl)-2-(2-methoxy-2-oxidanylidene-ethyl)-4H-pyran-3-carboxylate
MOLECULAR FORMULA: C19H20N2O7
MOLECULAR WEIGHT: 388.3713
SMILES: COC1=C(C=C(C=C1)[C@@H]2C(=C(OC(=C2C(=O)OC)CC(=O)OC)N)C#N)OC
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Product OPENEYE NAME: methyl (4S)-6-amino-5-cyano-4-(4-hydroxy-3-methoxy-phenyl)-2-(2-methoxy-2-oxo-ethyl)-4H-pyran-3-carboxylate
CAS Name: (4S)-6-amino-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylic acid methyl ester
IUPAC NAME: methyl (4S)-6-amino-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylate
SYSTEMATIC NAME: methyl (4S)-6-azanyl-5-cyano-2-(2-methoxy-2-oxidanylidene-ethyl)-4-(3-methoxy-4-oxidanyl-phenyl)-4H-pyran-3-carboxylate
MOLECULAR FORMULA: C18H18N2O7
MOLECULAR WEIGHT: 374.34472
SMILES: COC1=C(C=CC(=C1)[C@H]2C(=C(OC(=C2C(=O)OC)CC(=O)OC)N)C#N)O
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Product OPENEYE NAME: methyl (4R)-6-amino-5-cyano-4-(4-hydroxy-3-methoxy-phenyl)-2-(2-methoxy-2-oxo-ethyl)-4H-pyran-3-carboxylate
CAS Name: (4R)-6-amino-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylic acid methyl ester
IUPAC NAME: methyl (4R)-6-amino-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylate
SYSTEMATIC NAME: methyl (4R)-6-azanyl-5-cyano-2-(2-methoxy-2-oxidanylidene-ethyl)-4-(3-methoxy-4-oxidanyl-phenyl)-4H-pyran-3-carboxylate
MOLECULAR FORMULA: C18H18N2O7
MOLECULAR WEIGHT: 374.34472
SMILES: COC1=C(C=CC(=C1)[C@@H]2C(=C(OC(=C2C(=O)OC)CC(=O)OC)N)C#N)O
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Product OPENEYE NAME: methyl (4S)-2,7,7-trimethyl-4-(2-nitrophenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
CAS Name: (4S)-2,7,7-trimethyl-4-(2-nitrophenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid methyl ester
IUPAC NAME: methyl (4S)-2,7,7-trimethyl-4-(2-nitrophenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
SYSTEMATIC NAME: methyl (4S)-2,7,7-trimethyl-4-(2-nitrophenyl)-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate
MOLECULAR FORMULA: C20H22N2O5
MOLECULAR WEIGHT: 370.39908
SMILES: CC1=C([C@H](C2=C(N1)CC(CC2=O)(C)C)C3=CC=CC=C3[N+](=O)[O-])C(=O)OC
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Product OPENEYE NAME: methyl (4R)-2,7,7-trimethyl-4-(2-nitrophenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
CAS Name: (4R)-2,7,7-trimethyl-4-(2-nitrophenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid methyl ester
IUPAC NAME: methyl (4R)-2,7,7-trimethyl-4-(2-nitrophenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
SYSTEMATIC NAME: methyl (4R)-2,7,7-trimethyl-4-(2-nitrophenyl)-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate
MOLECULAR FORMULA: C20H22N2O5
MOLECULAR WEIGHT: 370.39908
SMILES: CC1=C([C@@H](C2=C(N1)CC(CC2=O)(C)C)C3=CC=CC=C3[N+](=O)[O-])C(=O)OC
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