Sunday, April 29, 2012

All Chemical Compounds Information




Product OPENEYE NAME: methyl 2-[(4R)-6-amino-5-cyano-4-(1H-indol-3-yl)-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]acetate
CAS Name: 2-[(4R)-6-amino-5-cyano-4-(1H-indol-3-yl)-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]acetic acid methyl ester
IUPAC NAME: methyl 2-[(4R)-6-amino-5-cyano-4-(1H-indol-3-yl)-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]acetate
SYSTEMATIC NAME: methyl 2-[(4R)-6-azanyl-5-cyano-4-(1H-indol-3-yl)-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]ethanoate
MOLECULAR FORMULA: C18H15N5O3
MOLECULAR WEIGHT: 349.3434
SMILES: COC(=O)CC1=C2[C@@H](C(=C(OC2=NN1)N)C#N)C3=CNC4=CC=CC=C43
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Product OPENEYE NAME: methyl 2-[(4S)-6-amino-5-cyano-4-(1H-indol-3-yl)-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]acetate
CAS Name: 2-[(4S)-6-amino-5-cyano-4-(1H-indol-3-yl)-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]acetic acid methyl ester
IUPAC NAME: methyl 2-[(4S)-6-amino-5-cyano-4-(1H-indol-3-yl)-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]acetate
SYSTEMATIC NAME: methyl 2-[(4S)-6-azanyl-5-cyano-4-(1H-indol-3-yl)-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]ethanoate
MOLECULAR FORMULA: C18H15N5O3
MOLECULAR WEIGHT: 349.3434
SMILES: COC(=O)CC1=C2[C@H](C(=C(OC2=NN1)N)C#N)C3=CNC4=CC=CC=C43
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Product OPENEYE NAME: ethyl 2-[(4R)-6-amino-5-cyano-4-(1H-indol-3-yl)-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]acetate
CAS Name: 2-[(4R)-6-amino-5-cyano-4-(1H-indol-3-yl)-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]acetic acid ethyl ester
IUPAC NAME: ethyl 2-[(4R)-6-amino-5-cyano-4-(1H-indol-3-yl)-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]acetate
SYSTEMATIC NAME: ethyl 2-[(4R)-6-azanyl-5-cyano-4-(1H-indol-3-yl)-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]ethanoate
MOLECULAR FORMULA: C19H17N5O3
MOLECULAR WEIGHT: 363.36998
SMILES: CCOC(=O)CC1=C2[C@@H](C(=C(OC2=NN1)N)C#N)C3=CNC4=CC=CC=C43
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Product OPENEYE NAME: ethyl 2-[(4S)-6-amino-5-cyano-4-(1H-indol-3-yl)-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]acetate
CAS Name: 2-[(4S)-6-amino-5-cyano-4-(1H-indol-3-yl)-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]acetic acid ethyl ester
IUPAC NAME: ethyl 2-[(4S)-6-amino-5-cyano-4-(1H-indol-3-yl)-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]acetate
SYSTEMATIC NAME: ethyl 2-[(4S)-6-azanyl-5-cyano-4-(1H-indol-3-yl)-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]ethanoate
MOLECULAR FORMULA: C19H17N5O3
MOLECULAR WEIGHT: 363.36998
SMILES: CCOC(=O)CC1=C2[C@H](C(=C(OC2=NN1)N)C#N)C3=CNC4=CC=CC=C43
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Product OPENEYE NAME: 2-[4-[(4R)-6-amino-5-cyano-3-(4-fluorophenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-methoxy-phenoxy]acetamide
CAS Name: 2-[4-[(4R)-6-amino-5-cyano-3-(4-fluorophenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-methoxyphenoxy]acetamide
IUPAC NAME: 2-[4-[(4R)-6-amino-5-cyano-3-(4-fluorophenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-methoxyphenoxy]acetamide
SYSTEMATIC NAME: 2-[4-[(4R)-6-azanyl-5-cyano-3-(4-fluorophenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-methoxy-phenoxy]ethanamide
MOLECULAR FORMULA: C22H18FN5O4
MOLECULAR WEIGHT: 435.407823
SMILES: COC1=C(C=CC(=C1)[C@@H]2C(=C(OC3=NNC(=C23)C4=CC=C(C=C4)F)N)C#N)OCC(=O)N
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Product OPENEYE NAME: 2-[4-[(4S)-6-amino-5-cyano-3-(4-fluorophenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-methoxy-phenoxy]acetamide
CAS Name: 2-[4-[(4S)-6-amino-5-cyano-3-(4-fluorophenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-methoxyphenoxy]acetamide
IUPAC NAME: 2-[4-[(4S)-6-amino-5-cyano-3-(4-fluorophenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-methoxyphenoxy]acetamide
SYSTEMATIC NAME: 2-[4-[(4S)-6-azanyl-5-cyano-3-(4-fluorophenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-methoxy-phenoxy]ethanamide
MOLECULAR FORMULA: C22H18FN5O4
MOLECULAR WEIGHT: 435.407823
SMILES: COC1=C(C=CC(=C1)[C@H]2C(=C(OC3=NNC(=C23)C4=CC=C(C=C4)F)N)C#N)OCC(=O)N
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Product OPENEYE NAME: (8R,8aS)-6-amino-2-ethyl-8-(4-isopropylphenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
CAS Name: (8R,8aS)-6-amino-2-ethyl-8-(4-propan-2-ylphenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
IUPAC NAME: (8R,8aS)-6-amino-2-ethyl-8-(4-propan-2-ylphenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
SYSTEMATIC NAME: (8R,8aS)-6-azanyl-2-ethyl-8-(4-propan-2-ylphenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
MOLECULAR FORMULA: C23H25N5
MOLECULAR WEIGHT: 371.4781
SMILES: CCN1CC=C2[C@@H](C1)[C@@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC=C(C=C3)C(C)C
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Product OPENEYE NAME: ethyl (8S,8aS)-6-amino-5,7,7-tricyano-8-(4-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
CAS Name: (8S,8aS)-6-amino-5,7,7-tricyano-8-(4-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid ethyl ester
IUPAC NAME: ethyl (8S,8aS)-6-amino-5,7,7-tricyano-8-(4-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
SYSTEMATIC NAME: ethyl (8S,8aS)-6-azanyl-5,7,7-tricyano-8-(4-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
MOLECULAR FORMULA: C22H21N5O3
MOLECULAR WEIGHT: 403.43384
SMILES: CCOC(=O)N1CC=C2[C@@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC=C(C=C3)OC
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Product OPENEYE NAME: ethyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(4-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
CAS Name: (8S,8aR)-6-amino-5,7,7-tricyano-8-(4-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid ethyl ester
IUPAC NAME: ethyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(4-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
SYSTEMATIC NAME: ethyl (8S,8aR)-6-azanyl-5,7,7-tricyano-8-(4-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
MOLECULAR FORMULA: C22H21N5O3
MOLECULAR WEIGHT: 403.43384
SMILES: CCOC(=O)N1CC=C2[C@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC=C(C=C3)OC
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Product OPENEYE NAME: ethyl (8R,8aS)-6-amino-5,7,7-tricyano-8-(4-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
CAS Name: (8R,8aS)-6-amino-5,7,7-tricyano-8-(4-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid ethyl ester
IUPAC NAME: ethyl (8R,8aS)-6-amino-5,7,7-tricyano-8-(4-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
SYSTEMATIC NAME: ethyl (8R,8aS)-6-azanyl-5,7,7-tricyano-8-(4-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
MOLECULAR FORMULA: C22H21N5O3
MOLECULAR WEIGHT: 403.43384
SMILES: CCOC(=O)N1CC=C2[C@@H](C1)[C@@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC=C(C=C3)OC
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Product OPENEYE NAME: ethyl (8R,8aR)-6-amino-5,7,7-tricyano-8-(4-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
CAS Name: (8R,8aR)-6-amino-5,7,7-tricyano-8-(4-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid ethyl ester
IUPAC NAME: ethyl (8R,8aR)-6-amino-5,7,7-tricyano-8-(4-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
SYSTEMATIC NAME: ethyl (8R,8aR)-6-azanyl-5,7,7-tricyano-8-(4-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
MOLECULAR FORMULA: C22H21N5O3
MOLECULAR WEIGHT: 403.43384
SMILES: CCOC(=O)N1CC=C2[C@H](C1)[C@@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC=C(C=C3)OC
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Product OPENEYE NAME: ethyl (4S)-2-amino-4-(4-fluorophenyl)-6-(hydroxymethyl)-8-oxo-4H-pyrano[3,2-b]pyran-3-carboxylate
CAS Name: (4S)-2-amino-4-(4-fluorophenyl)-6-(hydroxymethyl)-8-oxo-4H-pyrano[3,2-b]pyran-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl (4S)-2-amino-4-(4-fluorophenyl)-6-(hydroxymethyl)-8-oxo-4H-pyrano[3,2-b]pyran-3-carboxylate
SYSTEMATIC NAME: ethyl (4S)-2-azanyl-4-(4-fluorophenyl)-6-(hydroxymethyl)-8-oxidanylidene-4H-pyrano[3,2-b]pyran-3-carboxylate
MOLECULAR FORMULA: C18H16FNO6
MOLECULAR WEIGHT: 361.321143
SMILES: CCOC(=O)C1=C(OC2=C([C@H]1C3=CC=C(C=C3)F)OC(=CC2=O)CO)N
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Product OPENEYE NAME: ethyl (4R)-2-amino-4-(4-fluorophenyl)-6-(hydroxymethyl)-8-oxo-4H-pyrano[3,2-b]pyran-3-carboxylate
CAS Name: (4R)-2-amino-4-(4-fluorophenyl)-6-(hydroxymethyl)-8-oxo-4H-pyrano[3,2-b]pyran-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl (4R)-2-amino-4-(4-fluorophenyl)-6-(hydroxymethyl)-8-oxo-4H-pyrano[3,2-b]pyran-3-carboxylate
SYSTEMATIC NAME: ethyl (4R)-2-azanyl-4-(4-fluorophenyl)-6-(hydroxymethyl)-8-oxidanylidene-4H-pyrano[3,2-b]pyran-3-carboxylate
MOLECULAR FORMULA: C18H16FNO6
MOLECULAR WEIGHT: 361.321143
SMILES: CCOC(=O)C1=C(OC2=C([C@@H]1C3=CC=C(C=C3)F)OC(=CC2=O)CO)N
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Product OPENEYE NAME: (8S,8aR)-6-amino-2-ethyl-2'-oxo-spiro[3,8a-dihydro-1H-isoquinoline-8,3'-indoline]-5,7,7-tricarbonitrile
CAS Name: (3S,8'aR)-6'-amino-2'-ethyl-2-oxospiro[1H-indole-3,8'-3,8a-dihydro-1H-isoquinoline]-5',7',7'-tricarbonitrile
IUPAC NAME: (3S,8'aR)-6'-amino-2'-ethyl-2-oxospiro[1H-indole-3,8'-3,8a-dihydro-1H-isoquinoline]-5',7',7'-tricarbonitrile
SYSTEMATIC NAME: (3S,8'aR)-6'-azanyl-2'-ethyl-2-oxidanylidene-spiro[1H-indole-3,8'-3,8a-dihydro-1H-isoquinoline]-5',7',7'-tricarbonitrile
MOLECULAR FORMULA: C21H18N6O
MOLECULAR WEIGHT: 370.40722
SMILES: CCN1CC=C2[C@@H](C1)[C@]3(C4=CC=CC=C4NC3=O)C(C(=C2C#N)N)(C#N)C#N
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