Thursday, July 26, 2012

All Chemical Compounds Information




Product OPENEYE NAME: ethyl (2E)-2-cyano-2-(3-oxoisoindolin-1-ylidene)acetate
CAS Name: (2E)-2-cyano-2-(3-oxo-1-isoindolylidene)acetic acid ethyl ester
IUPAC NAME: ethyl (2E)-2-cyano-2-(3-oxoisoindol-1-ylidene)acetate
SYSTEMATIC NAME: ethyl (2E)-2-cyano-2-(3-oxidanylideneisoindol-1-ylidene)ethanoate
MOLECULAR FORMULA: C13H10N2O3
MOLECULAR WEIGHT: 242.2301
SMILES: CCOC(=O)/C(=C/1\C2=CC=CC=C2C(=O)N1)/C#N
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Product OPENEYE NAME: 3-(1,3-benzodioxol-5-yl)-5,7-dimethyl-2H-pyrazolo[3,4-d]pyrimidine-4,6-dione
CAS Name: 3-(1,3-benzodioxol-5-yl)-5,7-dimethyl-2H-pyrazolo[3,4-d]pyrimidine-4,6-dione
IUPAC NAME: 3-(1,3-benzodioxol-5-yl)-5,7-dimethyl-2H-pyrazolo[3,4-d]pyrimidine-4,6-dione
SYSTEMATIC NAME: 3-(1,3-benzodioxol-5-yl)-5,7-dimethyl-2H-pyrazolo[3,4-d]pyrimidine-4,6-dione
MOLECULAR FORMULA: C14H12N4O4
MOLECULAR WEIGHT: 300.26948
SMILES: CN1C2=NNC(=C2C(=O)N(C1=O)C)C3=CC4=C(C=C3)OCO4
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Product OPENEYE NAME: (3E)-6-fluoro-3-[2-(2-fluorophenyl)-2-oxo-ethylidene]indolin-2-one
CAS Name: (3E)-6-fluoro-3-[2-(2-fluorophenyl)-2-oxoethylidene]-1H-indol-2-one
IUPAC NAME: (3E)-6-fluoro-3-[2-(2-fluorophenyl)-2-oxoethylidene]-1H-indol-2-one
SYSTEMATIC NAME: (3E)-6-fluoranyl-3-[2-(2-fluorophenyl)-2-oxidanylidene-ethylidene]-1H-indol-2-one
MOLECULAR FORMULA: C16H9F2NO2
MOLECULAR WEIGHT: 285.244966
SMILES: C1=CC=C(C(=C1)C(=O)/C=C/2\C3=C(C=C(C=C3)F)NC2=O)F
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Product OPENEYE NAME: (3S,3'R)-3'-benzoyl-5-fluoro-spiro[indoline-3,2'-oxirane]-2-one
CAS Name: (3S,3'R)-3'-benzoyl-5-fluoro-2-spiro[1H-indole-3,2'-oxirane]one
IUPAC NAME: (3S,3'R)-3'-benzoyl-5-fluorospiro[1H-indole-3,2'-oxirane]-2-one
SYSTEMATIC NAME: (3S,3'R)-5-fluoranyl-3'-(phenylcarbonyl)spiro[1H-indole-3,2'-oxirane]-2-one
MOLECULAR FORMULA: C16H10FNO3
MOLECULAR WEIGHT: 283.253903
SMILES: C1=CC=C(C=C1)C(=O)[C@H]2[C@@]3(O2)C4=C(C=CC(=C4)F)NC3=O
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Product OPENEYE NAME: (3R,3'S)-3'-benzoyl-5-fluoro-spiro[indoline-3,2'-oxirane]-2-one
CAS Name: (3R,3'S)-3'-benzoyl-5-fluoro-2-spiro[1H-indole-3,2'-oxirane]one
IUPAC NAME: (3R,3'S)-3'-benzoyl-5-fluorospiro[1H-indole-3,2'-oxirane]-2-one
SYSTEMATIC NAME: (3R,3'S)-5-fluoranyl-3'-(phenylcarbonyl)spiro[1H-indole-3,2'-oxirane]-2-one
MOLECULAR FORMULA: C16H10FNO3
MOLECULAR WEIGHT: 283.253903
SMILES: C1=CC=C(C=C1)C(=O)[C@@H]2[C@]3(O2)C4=C(C=CC(=C4)F)NC3=O
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Product OPENEYE NAME: (3S,3'R)-5-fluoro-3'-(4-fluorobenzoyl)spiro[indoline-3,2'-oxirane]-2-one
CAS Name: (3S,3'R)-5-fluoro-3'-[(4-fluorophenyl)-oxomethyl]-2-spiro[1H-indole-3,2'-oxirane]one
IUPAC NAME: (3S,3'R)-5-fluoro-3'-(4-fluorobenzoyl)spiro[1H-indole-3,2'-oxirane]-2-one
SYSTEMATIC NAME: (3S,3'R)-5-fluoranyl-3'-(4-fluorophenyl)carbonyl-spiro[1H-indole-3,2'-oxirane]-2-one
MOLECULAR FORMULA: C16H9F2NO3
MOLECULAR WEIGHT: 301.244366
SMILES: C1=CC(=CC=C1C(=O)[C@H]2[C@@]3(O2)C4=C(C=CC(=C4)F)NC3=O)F
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Product OPENEYE NAME: (3R,3'S)-5-fluoro-3'-(4-fluorobenzoyl)spiro[indoline-3,2'-oxirane]-2-one
CAS Name: (3R,3'S)-5-fluoro-3'-[(4-fluorophenyl)-oxomethyl]-2-spiro[1H-indole-3,2'-oxirane]one
IUPAC NAME: (3R,3'S)-5-fluoro-3'-(4-fluorobenzoyl)spiro[1H-indole-3,2'-oxirane]-2-one
SYSTEMATIC NAME: (3R,3'S)-5-fluoranyl-3'-(4-fluorophenyl)carbonyl-spiro[1H-indole-3,2'-oxirane]-2-one
MOLECULAR FORMULA: C16H9F2NO3
MOLECULAR WEIGHT: 301.244366
SMILES: C1=CC(=CC=C1C(=O)[C@@H]2[C@]3(O2)C4=C(C=CC(=C4)F)NC3=O)F
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Product OPENEYE NAME: (3S,3'R)-5-fluoro-3'-(2-fluorobenzoyl)spiro[indoline-3,2'-oxirane]-2-one
CAS Name: (3S,3'R)-5-fluoro-3'-[(2-fluorophenyl)-oxomethyl]-2-spiro[1H-indole-3,2'-oxirane]one
IUPAC NAME: (3S,3'R)-5-fluoro-3'-(2-fluorobenzoyl)spiro[1H-indole-3,2'-oxirane]-2-one
SYSTEMATIC NAME: (3S,3'R)-5-fluoranyl-3'-(2-fluorophenyl)carbonyl-spiro[1H-indole-3,2'-oxirane]-2-one
MOLECULAR FORMULA: C16H9F2NO3
MOLECULAR WEIGHT: 301.244366
SMILES: C1=CC=C(C(=C1)C(=O)[C@H]2[C@@]3(O2)C4=C(C=CC(=C4)F)NC3=O)F
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Product OPENEYE NAME: (3R,3'S)-5-fluoro-3'-(2-fluorobenzoyl)spiro[indoline-3,2'-oxirane]-2-one
CAS Name: (3R,3'S)-5-fluoro-3'-[(2-fluorophenyl)-oxomethyl]-2-spiro[1H-indole-3,2'-oxirane]one
IUPAC NAME: (3R,3'S)-5-fluoro-3'-(2-fluorobenzoyl)spiro[1H-indole-3,2'-oxirane]-2-one
SYSTEMATIC NAME: (3R,3'S)-5-fluoranyl-3'-(2-fluorophenyl)carbonyl-spiro[1H-indole-3,2'-oxirane]-2-one
MOLECULAR FORMULA: C16H9F2NO3
MOLECULAR WEIGHT: 301.244366
SMILES: C1=CC=C(C(=C1)C(=O)[C@@H]2[C@]3(O2)C4=C(C=CC(=C4)F)NC3=O)F
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Product OPENEYE NAME: (3S,3'R)-5-fluoro-3'-(4-fluoro-3-methyl-benzoyl)spiro[indoline-3,2'-oxirane]-2-one
CAS Name: (3S,3'R)-5-fluoro-3'-[(4-fluoro-3-methylphenyl)-oxomethyl]-2-spiro[1H-indole-3,2'-oxirane]one
IUPAC NAME: (3S,3'R)-5-fluoro-3'-(4-fluoro-3-methylbenzoyl)spiro[1H-indole-3,2'-oxirane]-2-one
SYSTEMATIC NAME: (3S,3'R)-5-fluoranyl-3'-(4-fluoranyl-3-methyl-phenyl)carbonyl-spiro[1H-indole-3,2'-oxirane]-2-one
MOLECULAR FORMULA: C17H11F2NO3
MOLECULAR WEIGHT: 315.270946
SMILES: CC1=C(C=CC(=C1)C(=O)[C@H]2[C@@]3(O2)C4=C(C=CC(=C4)F)NC3=O)F
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Product OPENEYE NAME: (3R,3'S)-5-fluoro-3'-(4-fluoro-3-methyl-benzoyl)spiro[indoline-3,2'-oxirane]-2-one
CAS Name: (3R,3'S)-5-fluoro-3'-[(4-fluoro-3-methylphenyl)-oxomethyl]-2-spiro[1H-indole-3,2'-oxirane]one
IUPAC NAME: (3R,3'S)-5-fluoro-3'-(4-fluoro-3-methylbenzoyl)spiro[1H-indole-3,2'-oxirane]-2-one
SYSTEMATIC NAME: (3R,3'S)-5-fluoranyl-3'-(4-fluoranyl-3-methyl-phenyl)carbonyl-spiro[1H-indole-3,2'-oxirane]-2-one
MOLECULAR FORMULA: C17H11F2NO3
MOLECULAR WEIGHT: 315.270946
SMILES: CC1=C(C=CC(=C1)C(=O)[C@@H]2[C@]3(O2)C4=C(C=CC(=C4)F)NC3=O)F
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Product OPENEYE NAME: (3S,3'R)-3'-benzoyl-6-fluoro-spiro[indoline-3,2'-oxirane]-2-one
CAS Name: (3S,3'R)-3'-benzoyl-6-fluoro-2-spiro[1H-indole-3,2'-oxirane]one
IUPAC NAME: (3S,3'R)-3'-benzoyl-6-fluorospiro[1H-indole-3,2'-oxirane]-2-one
SYSTEMATIC NAME: (3S,3'R)-6-fluoranyl-3'-(phenylcarbonyl)spiro[1H-indole-3,2'-oxirane]-2-one
MOLECULAR FORMULA: C16H10FNO3
MOLECULAR WEIGHT: 283.253903
SMILES: C1=CC=C(C=C1)C(=O)[C@H]2[C@@]3(O2)C4=C(C=C(C=C4)F)NC3=O
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Product OPENEYE NAME: (3R,3'S)-3'-benzoyl-6-fluoro-spiro[indoline-3,2'-oxirane]-2-one
CAS Name: (3R,3'S)-3'-benzoyl-6-fluoro-2-spiro[1H-indole-3,2'-oxirane]one
IUPAC NAME: (3R,3'S)-3'-benzoyl-6-fluorospiro[1H-indole-3,2'-oxirane]-2-one
SYSTEMATIC NAME: (3R,3'S)-6-fluoranyl-3'-(phenylcarbonyl)spiro[1H-indole-3,2'-oxirane]-2-one
MOLECULAR FORMULA: C16H10FNO3
MOLECULAR WEIGHT: 283.253903
SMILES: C1=CC=C(C=C1)C(=O)[C@@H]2[C@]3(O2)C4=C(C=C(C=C4)F)NC3=O
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Product OPENEYE NAME: (3S,3'R)-6-fluoro-3'-(4-fluorobenzoyl)spiro[indoline-3,2'-oxirane]-2-one
CAS Name: (3S,3'R)-6-fluoro-3'-[(4-fluorophenyl)-oxomethyl]-2-spiro[1H-indole-3,2'-oxirane]one
IUPAC NAME: (3S,3'R)-6-fluoro-3'-(4-fluorobenzoyl)spiro[1H-indole-3,2'-oxirane]-2-one
SYSTEMATIC NAME: (3S,3'R)-6-fluoranyl-3'-(4-fluorophenyl)carbonyl-spiro[1H-indole-3,2'-oxirane]-2-one
MOLECULAR FORMULA: C16H9F2NO3
MOLECULAR WEIGHT: 301.244366
SMILES: C1=CC(=CC=C1C(=O)[C@H]2[C@@]3(O2)C4=C(C=C(C=C4)F)NC3=O)F
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Product OPENEYE NAME: (3R,3'S)-6-fluoro-3'-(4-fluorobenzoyl)spiro[indoline-3,2'-oxirane]-2-one
CAS Name: (3R,3'S)-6-fluoro-3'-[(4-fluorophenyl)-oxomethyl]-2-spiro[1H-indole-3,2'-oxirane]one
IUPAC NAME: (3R,3'S)-6-fluoro-3'-(4-fluorobenzoyl)spiro[1H-indole-3,2'-oxirane]-2-one
SYSTEMATIC NAME: (3R,3'S)-6-fluoranyl-3'-(4-fluorophenyl)carbonyl-spiro[1H-indole-3,2'-oxirane]-2-one
MOLECULAR FORMULA: C16H9F2NO3
MOLECULAR WEIGHT: 301.244366
SMILES: C1=CC(=CC=C1C(=O)[C@@H]2[C@]3(O2)C4=C(C=C(C=C4)F)NC3=O)F
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Product OPENEYE NAME: (3S,3'R)-6-fluoro-3'-(2-fluorobenzoyl)spiro[indoline-3,2'-oxirane]-2-one
CAS Name: (3S,3'R)-6-fluoro-3'-[(2-fluorophenyl)-oxomethyl]-2-spiro[1H-indole-3,2'-oxirane]one
IUPAC NAME: (3S,3'R)-6-fluoro-3'-(2-fluorobenzoyl)spiro[1H-indole-3,2'-oxirane]-2-one
SYSTEMATIC NAME: (3S,3'R)-6-fluoranyl-3'-(2-fluorophenyl)carbonyl-spiro[1H-indole-3,2'-oxirane]-2-one
MOLECULAR FORMULA: C16H9F2NO3
MOLECULAR WEIGHT: 301.244366
SMILES: C1=CC=C(C(=C1)C(=O)[C@H]2[C@@]3(O2)C4=C(C=C(C=C4)F)NC3=O)F
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Product OPENEYE NAME: (3R,3'S)-6-fluoro-3'-(2-fluorobenzoyl)spiro[indoline-3,2'-oxirane]-2-one
CAS Name: (3R,3'S)-6-fluoro-3'-[(2-fluorophenyl)-oxomethyl]-2-spiro[1H-indole-3,2'-oxirane]one
IUPAC NAME: (3R,3'S)-6-fluoro-3'-(2-fluorobenzoyl)spiro[1H-indole-3,2'-oxirane]-2-one
SYSTEMATIC NAME: (3R,3'S)-6-fluoranyl-3'-(2-fluorophenyl)carbonyl-spiro[1H-indole-3,2'-oxirane]-2-one
MOLECULAR FORMULA: C16H9F2NO3
MOLECULAR WEIGHT: 301.244366
SMILES: C1=CC=C(C(=C1)C(=O)[C@@H]2[C@]3(O2)C4=C(C=C(C=C4)F)NC3=O)F
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Product OPENEYE NAME: (3S,4R)-3-(4-chlorophenyl)sulfanyl-4-deuterio-1-methyl-piperidine-4-carbonitrile
CAS Name: (3S,4R)-3-[(4-chlorophenyl)thio]-4-deuterio-1-methyl-4-piperidinecarbonitrile
IUPAC NAME: (3S,4R)-3-(4-chlorophenyl)sulfanyl-4-deuterio-1-methylpiperidine-4-carbonitrile
SYSTEMATIC NAME: (3S,4R)-3-(4-chlorophenyl)sulfanyl-4-deuterio-1-methyl-piperidine-4-carbonitrile
MOLECULAR FORMULA: C13H15ClN2S
MOLECULAR WEIGHT: 267.795762
SMILES: [2H][C@@]1(CCN(C[C@H]1SC2=CC=C(C=C2)Cl)C)C#N
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Product OPENEYE NAME: (3S,4S)-4-(4-chlorophenyl)sulfanyl-1-methyl-piperidine-3-carbonitrile
CAS Name: (3S,4S)-4-[(4-chlorophenyl)thio]-1-methyl-3-piperidinecarbonitrile
IUPAC NAME: (3S,4S)-4-(4-chlorophenyl)sulfanyl-1-methylpiperidine-3-carbonitrile
SYSTEMATIC NAME: (3S,4S)-4-(4-chlorophenyl)sulfanyl-1-methyl-piperidine-3-carbonitrile
MOLECULAR FORMULA: C13H15ClN2S
MOLECULAR WEIGHT: 266.7896
SMILES: CN1CC[C@@H]([C@@H](C1)C#N)SC2=CC=C(C=C2)Cl
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