Sunday, April 29, 2012

All Chemical Compounds Information



Product OPENEYE NAME: (8S,8aR)-6-amino-2-ethyl-8-(4-fluorophenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
CAS Name: (8S,8aR)-6-amino-2-ethyl-8-(4-fluorophenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
IUPAC NAME: (8S,8aR)-6-amino-2-ethyl-8-(4-fluorophenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
SYSTEMATIC NAME: (8S,8aR)-6-azanyl-2-ethyl-8-(4-fluorophenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
MOLECULAR FORMULA: C20H18FN5
MOLECULAR WEIGHT: 347.388823
SMILES: CCN1CC=C2[C@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC=C(C=C3)F
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Product OPENEYE NAME: (8R,8aS)-6-amino-8-(4-methoxyphenyl)-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile
CAS Name: (8R,8aS)-6-amino-8-(4-methoxyphenyl)-1,3,8,8a-tetrahydro-2-benzothiopyran-5,7,7-tricarbonitrile
IUPAC NAME: (8R,8aS)-6-amino-8-(4-methoxyphenyl)-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile
SYSTEMATIC NAME: (8R,8aS)-6-azanyl-8-(4-methoxyphenyl)-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile
MOLECULAR FORMULA: C19H16N4OS
MOLECULAR WEIGHT: 348.42154
SMILES: COC1=CC=C(C=C1)[C@H]2[C@@H]3CSCC=C3C(=C(C2(C#N)C#N)N)C#N
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Product OPENEYE NAME: (8S,8aS)-6-amino-8-(4-methoxyphenyl)-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile
CAS Name: (8S,8aS)-6-amino-8-(4-methoxyphenyl)-1,3,8,8a-tetrahydro-2-benzothiopyran-5,7,7-tricarbonitrile
IUPAC NAME: (8S,8aS)-6-amino-8-(4-methoxyphenyl)-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile
SYSTEMATIC NAME: (8S,8aS)-6-azanyl-8-(4-methoxyphenyl)-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile
MOLECULAR FORMULA: C19H16N4OS
MOLECULAR WEIGHT: 348.42154
SMILES: COC1=CC=C(C=C1)[C@@H]2[C@@H]3CSCC=C3C(=C(C2(C#N)C#N)N)C#N
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Product OPENEYE NAME: (8R,8aR)-6-amino-8-(4-methoxyphenyl)-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile
CAS Name: (8R,8aR)-6-amino-8-(4-methoxyphenyl)-1,3,8,8a-tetrahydro-2-benzothiopyran-5,7,7-tricarbonitrile
IUPAC NAME: (8R,8aR)-6-amino-8-(4-methoxyphenyl)-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile
SYSTEMATIC NAME: (8R,8aR)-6-azanyl-8-(4-methoxyphenyl)-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile
MOLECULAR FORMULA: C19H16N4OS
MOLECULAR WEIGHT: 348.42154
SMILES: COC1=CC=C(C=C1)[C@H]2[C@H]3CSCC=C3C(=C(C2(C#N)C#N)N)C#N
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Product OPENEYE NAME: (8S,8aR)-6-amino-8-(4-methoxyphenyl)-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile
CAS Name: (8S,8aR)-6-amino-8-(4-methoxyphenyl)-1,3,8,8a-tetrahydro-2-benzothiopyran-5,7,7-tricarbonitrile
IUPAC NAME: (8S,8aR)-6-amino-8-(4-methoxyphenyl)-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile
SYSTEMATIC NAME: (8S,8aR)-6-azanyl-8-(4-methoxyphenyl)-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile
MOLECULAR FORMULA: C19H16N4OS
MOLECULAR WEIGHT: 348.42154
SMILES: COC1=CC=C(C=C1)[C@@H]2[C@H]3CSCC=C3C(=C(C2(C#N)C#N)N)C#N
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Product OPENEYE NAME: methyl (3S)-6'-amino-5'-cyano-5-fluoro-2'-methyl-2-oxo-spiro[indoline-3,4'-pyran]-3'-carboxylate
CAS Name: (3S)-6'-amino-5'-cyano-5-fluoro-2'-methyl-2-oxo-3'-spiro[1H-indole-3,4'-pyran]carboxylic acid methyl ester
IUPAC NAME: methyl (3S)-6'-amino-5'-cyano-5-fluoro-2'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate
SYSTEMATIC NAME: methyl (3S)-6'-azanyl-5'-cyano-5-fluoranyl-2'-methyl-2-oxidanylidene-spiro[1H-indole-3,4'-pyran]-3'-carboxylate
MOLECULAR FORMULA: C16H12FN3O4
MOLECULAR WEIGHT: 329.282583
SMILES: CC1=C([C@]2(C3=C(C=CC(=C3)F)NC2=O)C(=C(O1)N)C#N)C(=O)OC
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Product OPENEYE NAME: methyl (3R)-6'-amino-5'-cyano-5-fluoro-2'-methyl-2-oxo-spiro[indoline-3,4'-pyran]-3'-carboxylate
CAS Name: (3R)-6'-amino-5'-cyano-5-fluoro-2'-methyl-2-oxo-3'-spiro[1H-indole-3,4'-pyran]carboxylic acid methyl ester
IUPAC NAME: methyl (3R)-6'-amino-5'-cyano-5-fluoro-2'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate
SYSTEMATIC NAME: methyl (3R)-6'-azanyl-5'-cyano-5-fluoranyl-2'-methyl-2-oxidanylidene-spiro[1H-indole-3,4'-pyran]-3'-carboxylate
MOLECULAR FORMULA: C16H12FN3O4
MOLECULAR WEIGHT: 329.282583
SMILES: CC1=C([C@@]2(C3=C(C=CC(=C3)F)NC2=O)C(=C(O1)N)C#N)C(=O)OC
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Product OPENEYE NAME: (4R)-2-amino-4-[5-(4-fluorophenyl)-2-furyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
CAS Name: (4R)-2-amino-4-[5-(4-fluorophenyl)-2-furanyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile
IUPAC NAME: (4R)-2-amino-4-[5-(4-fluorophenyl)furan-2-yl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
SYSTEMATIC NAME: (4R)-2-azanyl-4-[5-(4-fluorophenyl)furan-2-yl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile
MOLECULAR FORMULA: C22H19FN2O3
MOLECULAR WEIGHT: 378.396263
SMILES: CC1(CC2=C([C@@H](C(=C(O2)N)C#N)C3=CC=C(O3)C4=CC=C(C=C4)F)C(=O)C1)C
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Product OPENEYE NAME: (4R)-6-amino-4-(6-chloro-1,3-benzodioxol-5-yl)-3-(3-pyridyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CAS Name: (4R)-6-amino-4-(6-chloro-1,3-benzodioxol-5-yl)-3-(3-pyridinyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
IUPAC NAME: (4R)-6-amino-4-(6-chloro-1,3-benzodioxol-5-yl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SYSTEMATIC NAME: (4R)-6-azanyl-4-(6-chloranyl-1,3-benzodioxol-5-yl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
MOLECULAR FORMULA: C19H12ClN5O3
MOLECULAR WEIGHT: 393.78328
SMILES: C1OC2=C(O1)C=C(C(=C2)[C@@H]3C(=C(OC4=NNC(=C34)C5=CN=CC=C5)N)C#N)Cl
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