Saturday, April 28, 2012

All Chemical Compounds Information




Product OPENEYE NAME: ethyl (4R)-6-amino-5-cyano-4-(2,3-dichlorophenyl)-2-(2-ethoxy-2-oxo-ethyl)-4H-pyran-3-carboxylate
CAS Name: (4R)-6-amino-5-cyano-4-(2,3-dichlorophenyl)-2-(2-ethoxy-2-oxoethyl)-4H-pyran-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl (4R)-6-amino-5-cyano-4-(2,3-dichlorophenyl)-2-(2-ethoxy-2-oxoethyl)-4H-pyran-3-carboxylate
SYSTEMATIC NAME: ethyl (4R)-6-azanyl-4-[2,3-bis(chloranyl)phenyl]-5-cyano-2-(2-ethoxy-2-oxidanylidene-ethyl)-4H-pyran-3-carboxylate
MOLECULAR FORMULA: C19H18Cl2N2O5
MOLECULAR WEIGHT: 425.26262
SMILES: CCOC(=O)CC1=C([C@@H](C(=C(O1)N)C#N)C2=C(C(=CC=C2)Cl)Cl)C(=O)OCC
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Product OPENEYE NAME: (1R,2R,3aS)-1-acetyl-2-(3,5-dimethoxyphenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile
CAS Name: (1R,2R,3aS)-1-acetyl-2-(3,5-dimethoxyphenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile
IUPAC NAME: (1R,2R,3aS)-1-acetyl-2-(3,5-dimethoxyphenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile
SYSTEMATIC NAME: (1R,2R,3aS)-2-(3,5-dimethoxyphenyl)-1-ethanoyl-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile
MOLECULAR FORMULA: C24H21N3O3
MOLECULAR WEIGHT: 399.44184
SMILES: CC(=O)[C@H]1[C@@H](C([C@H]2N1C3=CC=CC=C3C=C2)(C#N)C#N)C4=CC(=CC(=C4)OC)OC
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Product OPENEYE NAME: methyl (1R,2S,3S,8aS)-6-acetyl-3-carbamoyl-2-(4-chlorophenyl)-1-cyano-3,8a-dihydro-2H-indolizine-1-carboxylate
CAS Name: (1R,2S,3S,8aS)-6-acetyl-3-carbamoyl-2-(4-chlorophenyl)-1-cyano-3,8a-dihydro-2H-indolizine-1-carboxylic acid methyl ester
IUPAC NAME: methyl (1R,2S,3S,8aS)-6-acetyl-3-carbamoyl-2-(4-chlorophenyl)-1-cyano-3,8a-dihydro-2H-indolizine-1-carboxylate
SYSTEMATIC NAME: methyl (1R,2S,3S,8aS)-3-aminocarbonyl-2-(4-chlorophenyl)-1-cyano-6-ethanoyl-3,8a-dihydro-2H-indolizine-1-carboxylate
MOLECULAR FORMULA: C20H18ClN3O4
MOLECULAR WEIGHT: 399.82762
SMILES: CC(=O)C1=CN2[C@@H](C=C1)[C@]([C@@H]([C@H]2C(=O)N)C3=CC=C(C=C3)Cl)(C#N)C(=O)OC
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Product OPENEYE NAME: (8S,8aR)-6-amino-8-(4-isopropoxy-3-methoxy-phenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
CAS Name: (8S,8aR)-6-amino-8-(3-methoxy-4-propan-2-yloxyphenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
IUPAC NAME: (8S,8aR)-6-amino-8-(3-methoxy-4-propan-2-yloxyphenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
SYSTEMATIC NAME: (8S,8aR)-6-azanyl-8-(3-methoxy-4-propan-2-yloxy-phenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
MOLECULAR FORMULA: C23H25N5O2
MOLECULAR WEIGHT: 403.4769
SMILES: CC(C)OC1=C(C=C(C=C1)[C@@H]2[C@H]3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C)OC
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Product OPENEYE NAME: (4R)-2-amino-4-(4-isopropoxy-3-methoxy-phenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
CAS Name: (4R)-2-amino-4-(3-methoxy-4-propan-2-yloxyphenyl)-5-oxo-4H-pyrano[3,2-c][1]benzopyran-3-carbonitrile
IUPAC NAME: (4R)-2-amino-4-(3-methoxy-4-propan-2-yloxyphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
SYSTEMATIC NAME: (4R)-2-azanyl-4-(3-methoxy-4-propan-2-yloxy-phenyl)-5-oxidanylidene-4H-pyrano[3,2-c]chromene-3-carbonitrile
MOLECULAR FORMULA: C23H20N2O5
MOLECULAR WEIGHT: 404.4153
SMILES: CC(C)OC1=C(C=C(C=C1)[C@@H]2C(=C(OC3=C2C(=O)OC4=CC=CC=C43)N)C#N)OC
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Product OPENEYE NAME: (4S)-2-amino-4-(4-isopropoxy-3-methoxy-phenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
CAS Name: (4S)-2-amino-4-(3-methoxy-4-propan-2-yloxyphenyl)-5-oxo-4H-pyrano[3,2-c][1]benzopyran-3-carbonitrile
IUPAC NAME: (4S)-2-amino-4-(3-methoxy-4-propan-2-yloxyphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
SYSTEMATIC NAME: (4S)-2-azanyl-4-(3-methoxy-4-propan-2-yloxy-phenyl)-5-oxidanylidene-4H-pyrano[3,2-c]chromene-3-carbonitrile
MOLECULAR FORMULA: C23H20N2O5
MOLECULAR WEIGHT: 404.4153
SMILES: CC(C)OC1=C(C=C(C=C1)[C@H]2C(=C(OC3=C2C(=O)OC4=CC=CC=C43)N)C#N)OC
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Product OPENEYE NAME: (4R)-6-amino-4-[3-methoxy-4-(2-morpholinoethoxy)phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CAS Name: (4R)-6-amino-4-[3-methoxy-4-[2-(4-morpholinyl)ethoxy]phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
IUPAC NAME: (4R)-6-amino-4-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SYSTEMATIC NAME: (4R)-6-azanyl-4-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
MOLECULAR FORMULA: C21H25N5O4
MOLECULAR WEIGHT: 411.4543
SMILES: CC1=C2[C@@H](C(=C(OC2=NN1)N)C#N)C3=CC(=C(C=C3)OCCN4CCOCC4)OC
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Product OPENEYE NAME: (4S)-6-amino-4-[3-methoxy-4-(2-morpholinoethoxy)phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CAS Name: (4S)-6-amino-4-[3-methoxy-4-[2-(4-morpholinyl)ethoxy]phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
IUPAC NAME: (4S)-6-amino-4-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SYSTEMATIC NAME: (4S)-6-azanyl-4-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
MOLECULAR FORMULA: C21H25N5O4
MOLECULAR WEIGHT: 411.4543
SMILES: CC1=C2[C@H](C(=C(OC2=NN1)N)C#N)C3=CC(=C(C=C3)OCCN4CCOCC4)OC
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Product OPENEYE NAME: ethyl (8S,8aS)-6-amino-5,7,7-tricyano-8-[2-(trifluoromethyl)phenyl]-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
CAS Name: (8S,8aS)-6-amino-5,7,7-tricyano-8-[2-(trifluoromethyl)phenyl]-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid ethyl ester
IUPAC NAME: ethyl (8S,8aS)-6-amino-5,7,7-tricyano-8-[2-(trifluoromethyl)phenyl]-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
SYSTEMATIC NAME: ethyl (8S,8aS)-6-azanyl-5,7,7-tricyano-8-[2-(trifluoromethyl)phenyl]-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
MOLECULAR FORMULA: C22H18F3N5O2
MOLECULAR WEIGHT: 441.40583
SMILES: CCOC(=O)N1CC=C2[C@@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC=CC=C3C(F)(F)F
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Product OPENEYE NAME: ethyl (8S,8aR)-6-amino-5,7,7-tricyano-8-[2-(trifluoromethyl)phenyl]-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
CAS Name: (8S,8aR)-6-amino-5,7,7-tricyano-8-[2-(trifluoromethyl)phenyl]-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid ethyl ester
IUPAC NAME: ethyl (8S,8aR)-6-amino-5,7,7-tricyano-8-[2-(trifluoromethyl)phenyl]-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
SYSTEMATIC NAME: ethyl (8S,8aR)-6-azanyl-5,7,7-tricyano-8-[2-(trifluoromethyl)phenyl]-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
MOLECULAR FORMULA: C22H18F3N5O2
MOLECULAR WEIGHT: 441.40583
SMILES: CCOC(=O)N1CC=C2[C@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC=CC=C3C(F)(F)F
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Product OPENEYE NAME: ethyl (8R,8aS)-6-amino-5,7,7-tricyano-8-[2-(trifluoromethyl)phenyl]-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
CAS Name: (8R,8aS)-6-amino-5,7,7-tricyano-8-[2-(trifluoromethyl)phenyl]-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid ethyl ester
IUPAC NAME: ethyl (8R,8aS)-6-amino-5,7,7-tricyano-8-[2-(trifluoromethyl)phenyl]-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
SYSTEMATIC NAME: ethyl (8R,8aS)-6-azanyl-5,7,7-tricyano-8-[2-(trifluoromethyl)phenyl]-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
MOLECULAR FORMULA: C22H18F3N5O2
MOLECULAR WEIGHT: 441.40583
SMILES: CCOC(=O)N1CC=C2[C@@H](C1)[C@@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC=CC=C3C(F)(F)F
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Product OPENEYE NAME: ethyl (8R,8aR)-6-amino-5,7,7-tricyano-8-[2-(trifluoromethyl)phenyl]-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
CAS Name: (8R,8aR)-6-amino-5,7,7-tricyano-8-[2-(trifluoromethyl)phenyl]-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid ethyl ester
IUPAC NAME: ethyl (8R,8aR)-6-amino-5,7,7-tricyano-8-[2-(trifluoromethyl)phenyl]-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
SYSTEMATIC NAME: ethyl (8R,8aR)-6-azanyl-5,7,7-tricyano-8-[2-(trifluoromethyl)phenyl]-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
MOLECULAR FORMULA: C22H18F3N5O2
MOLECULAR WEIGHT: 441.40583
SMILES: CCOC(=O)N1CC=C2[C@H](C1)[C@@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC=CC=C3C(F)(F)F
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Product OPENEYE NAME: 6-ethyl-2-[2-(4-fluorophenyl)-2-oxo-ethyl]sulfanyl-5-methyl-pyridine-3-carbonitrile
CAS Name: 6-ethyl-2-[[2-(4-fluorophenyl)-2-oxoethyl]thio]-5-methyl-3-pyridinecarbonitrile
IUPAC NAME: 6-ethyl-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-5-methylpyridine-3-carbonitrile
SYSTEMATIC NAME: 6-ethyl-2-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-5-methyl-pyridine-3-carbonitrile
MOLECULAR FORMULA: C17H15FN2OS
MOLECULAR WEIGHT: 314.377203
SMILES: CCC1=C(C=C(C(=N1)SCC(=O)C2=CC=C(C=C2)F)C#N)C
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Product OPENEYE NAME: methyl (4R)-2-amino-5-oxo-4-(3-pyridyl)-4H-pyrano[3,2-c]chromene-3-carboxylate
CAS Name: (4R)-2-amino-5-oxo-4-(3-pyridinyl)-4H-pyrano[3,2-c][1]benzopyran-3-carboxylic acid methyl ester
IUPAC NAME: methyl (4R)-2-amino-5-oxo-4-pyridin-3-yl-4H-pyrano[3,2-c]chromene-3-carboxylate
SYSTEMATIC NAME: methyl (4R)-2-azanyl-5-oxidanylidene-4-pyridin-3-yl-4H-pyrano[3,2-c]chromene-3-carboxylate
MOLECULAR FORMULA: C19H14N2O5
MOLECULAR WEIGHT: 350.32486
SMILES: COC(=O)C1=C(OC2=C([C@H]1C3=CN=CC=C3)C(=O)OC4=CC=CC=C42)N
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Product OPENEYE NAME: methyl (4S)-2-amino-5-oxo-4-(3-pyridyl)-4H-pyrano[3,2-c]chromene-3-carboxylate
CAS Name: (4S)-2-amino-5-oxo-4-(3-pyridinyl)-4H-pyrano[3,2-c][1]benzopyran-3-carboxylic acid methyl ester
IUPAC NAME: methyl (4S)-2-amino-5-oxo-4-pyridin-3-yl-4H-pyrano[3,2-c]chromene-3-carboxylate
SYSTEMATIC NAME: methyl (4S)-2-azanyl-5-oxidanylidene-4-pyridin-3-yl-4H-pyrano[3,2-c]chromene-3-carboxylate
MOLECULAR FORMULA: C19H14N2O5
MOLECULAR WEIGHT: 350.32486
SMILES: COC(=O)C1=C(OC2=C([C@@H]1C3=CN=CC=C3)C(=O)OC4=CC=CC=C42)N
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Product OPENEYE NAME: (4S)-2-amino-4-(1,3-benzodioxol-5-yl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
CAS Name: (4S)-2-amino-4-(1,3-benzodioxol-5-yl)-5-oxo-4H-pyrano[3,2-c][1]benzopyran-3-carbonitrile
IUPAC NAME: (4S)-2-amino-4-(1,3-benzodioxol-5-yl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
SYSTEMATIC NAME: (4S)-2-azanyl-4-(1,3-benzodioxol-5-yl)-5-oxidanylidene-4H-pyrano[3,2-c]chromene-3-carbonitrile
MOLECULAR FORMULA: C20H12N2O5
MOLECULAR WEIGHT: 360.31968
SMILES: C1OC2=C(O1)C=C(C=C2)[C@H]3C(=C(OC4=C3C(=O)OC5=CC=CC=C54)N)C#N
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Product OPENEYE NAME: (4R)-2-amino-4-(1,3-benzodioxol-5-yl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
CAS Name: (4R)-2-amino-4-(1,3-benzodioxol-5-yl)-5-oxo-4H-pyrano[3,2-c][1]benzopyran-3-carbonitrile
IUPAC NAME: (4R)-2-amino-4-(1,3-benzodioxol-5-yl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
SYSTEMATIC NAME: (4R)-2-azanyl-4-(1,3-benzodioxol-5-yl)-5-oxidanylidene-4H-pyrano[3,2-c]chromene-3-carbonitrile
MOLECULAR FORMULA: C20H12N2O5
MOLECULAR WEIGHT: 360.31968
SMILES: C1OC2=C(O1)C=C(C=C2)[C@@H]3C(=C(OC4=C3C(=O)OC5=CC=CC=C54)N)C#N
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