Friday, November 25, 2011

All Chemical Compounds Information




Product OPENEYE NAME: [(2S)-1-[2-[4-(2-benzyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-4-yl)phenyl]ethyl]pyrrolidin-2-yl]methanol
CAS Name: [(2S)-1-[2-[4-[2-(phenylmethyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-4-yl]phenyl]ethyl]-2-pyrrolidinyl]methanol
IUPAC NAME: [(2S)-1-[2-[4-(2-benzyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-4-yl)phenyl]ethyl]pyrrolidin-2-yl]methanol
SYSTEMATIC NAME: [(2S)-1-[2-[4-[2-(phenylmethyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-4-yl]phenyl]ethyl]pyrrolidin-2-yl]methanol
MOLECULAR FORMULA: C27H34N2O
MOLECULAR WEIGHT: 402.57166
SMILES: C1C[C@H](N(C1)CCC2=CC=C(C=C2)C3=CCC4C3CN(C4)CC5=CC=CC=C5)CO
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Product OPENEYE NAME: N,N-diethyl-1-phenyl-2-[(2-pyridylmethylamino)methyl]cyclopropanecarboxamide
CAS Name: N,N-diethyl-1-phenyl-2-[(2-pyridinylmethylamino)methyl]-1-cyclopropanecarboxamide
IUPAC NAME: N,N-diethyl-1-phenyl-2-[(pyridin-2-ylmethylamino)methyl]cyclopropane-1-carboxamide
SYSTEMATIC NAME: N,N-diethyl-1-phenyl-2-[(pyridin-2-ylmethylamino)methyl]cyclopropane-1-carboxamide
MOLECULAR FORMULA: C21H27N3O
MOLECULAR WEIGHT: 337.45858
SMILES: CCN(CC)C(=O)C1(CC1CNCC2=CC=CC=N2)C3=CC=CC=C3
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Product OPENEYE NAME: N,N-diethyl-1-phenyl-2-[(1H-pyrrol-2-ylmethylamino)methyl]cyclopropanecarboxamide
CAS Name: N,N-diethyl-1-phenyl-2-[(1H-pyrrol-2-ylmethylamino)methyl]-1-cyclopropanecarboxamide
IUPAC NAME: N,N-diethyl-1-phenyl-2-[(1H-pyrrol-2-ylmethylamino)methyl]cyclopropane-1-carboxamide
SYSTEMATIC NAME: N,N-diethyl-1-phenyl-2-[(1H-pyrrol-2-ylmethylamino)methyl]cyclopropane-1-carboxamide
MOLECULAR FORMULA: C20H27N3O
MOLECULAR WEIGHT: 325.44788
SMILES: CCN(CC)C(=O)C1(CC1CNCC2=CC=CN2)C3=CC=CC=C3
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Product OPENEYE NAME: ethyl 6-(4-bromophenyl)-3-(4-methoxy-4-oxo-butyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CAS Name: 6-(4-bromophenyl)-3-(4-methoxy-4-oxobutyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester
IUPAC NAME: ethyl 6-(4-bromophenyl)-3-(4-methoxy-4-oxobutyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
SYSTEMATIC NAME: ethyl 6-(4-bromophenyl)-3-(4-methoxy-4-oxidanylidene-butyl)-4-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate
MOLECULAR FORMULA: C19H23BrN2O5
MOLECULAR WEIGHT: 439.30032
SMILES: CCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)Br)CCCC(=O)OC)C
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Product OPENEYE NAME: 1-(2-nitrophenyl)sulfonyl-3-(6-phenylsulfanylpurin-7-yl)-3,5-dihydro-2H-4,1-benzoxazepine
CAS Name: 1-(2-nitrophenyl)sulfonyl-3-[6-(phenylthio)-7-purinyl]-3,5-dihydro-2H-4,1-benzoxazepine
IUPAC NAME: 1-(2-nitrophenyl)sulfonyl-3-(6-phenylsulfanylpurin-7-yl)-3,5-dihydro-2H-4,1-benzoxazepine
SYSTEMATIC NAME: 1-(2-nitrophenyl)sulfonyl-3-(6-phenylsulfanylpurin-7-yl)-3,5-dihydro-2H-4,1-benzoxazepine
MOLECULAR FORMULA: C26H20N6O5S2
MOLECULAR WEIGHT: 560.6042
SMILES: C1C(OCC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])N4C=NC5=C4C(=NC=N5)SC6=CC=CC=C6
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Product OPENEYE NAME: (4aR)-4a-(ethoxymethyl)-1-(4-fluorophenyl)-6-[4-(trifluoromethyl)phenyl]sulfonyl-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
CAS Name: (4aR)-4a-(ethoxymethyl)-1-(4-fluorophenyl)-6-[4-(trifluoromethyl)phenyl]sulfonyl-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
IUPAC NAME: (4aR)-4a-(ethoxymethyl)-1-(4-fluorophenyl)-6-[4-(trifluoromethyl)phenyl]sulfonyl-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
SYSTEMATIC NAME: (4aR)-4a-(ethoxymethyl)-1-(4-fluorophenyl)-6-[4-(trifluoromethyl)phenyl]sulfonyl-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
MOLECULAR FORMULA: C26H25F4N3O3S
MOLECULAR WEIGHT: 535.553613
SMILES: CCOC[C@]12CC3=C(C=C1CCN(C2)S(=O)(=O)C4=CC=C(C=C4)C(F)(F)F)N(N=C3)C5=CC=C(C=C5)F
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Product OPENEYE NAME: (4aR)-6-(4-tert-butylphenyl)sulfonyl-4a-(ethoxymethyl)-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
CAS Name: (4aR)-6-(4-tert-butylphenyl)sulfonyl-4a-(ethoxymethyl)-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
IUPAC NAME: (4aR)-6-(4-tert-butylphenyl)sulfonyl-4a-(ethoxymethyl)-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
SYSTEMATIC NAME: (4aR)-6-(4-tert-butylphenyl)sulfonyl-4a-(ethoxymethyl)-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
MOLECULAR FORMULA: C29H34FN3O3S
MOLECULAR WEIGHT: 523.661963
SMILES: CCOC[C@]12CC3=C(C=C1CCN(C2)S(=O)(=O)C4=CC=C(C=C4)C(C)(C)C)N(N=C3)C5=CC=C(C=C5)F
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Product OPENEYE NAME: 4-[(1R)-1-amino-2-(methylamino)-2-oxo-ethyl]-N-[2-amino-5-(2-thienyl)phenyl]benzamide
CAS Name: 4-[(1R)-1-amino-2-(methylamino)-2-oxoethyl]-N-(2-amino-5-thiophen-2-ylphenyl)benzamide
IUPAC NAME: 4-[(1R)-1-amino-2-(methylamino)-2-oxoethyl]-N-(2-amino-5-thiophen-2-ylphenyl)benzamide
SYSTEMATIC NAME: 4-[(1R)-1-azanyl-2-(methylamino)-2-oxidanylidene-ethyl]-N-(2-azanyl-5-thiophen-2-yl-phenyl)benzamide
MOLECULAR FORMULA: C20H20N4O2S
MOLECULAR WEIGHT: 380.4634
SMILES: CNC(=O)[C@@H](C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C3=CC=CS3)N)N
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Product OPENEYE NAME: N-[2-amino-5-(2-thienyl)phenyl]-4-[(1S)-1,2-diamino-2-oxo-ethyl]benzamide
CAS Name: N-(2-amino-5-thiophen-2-ylphenyl)-4-[(1S)-1,2-diamino-2-oxoethyl]benzamide
IUPAC NAME: N-(2-amino-5-thiophen-2-ylphenyl)-4-[(1S)-1,2-diamino-2-oxoethyl]benzamide
SYSTEMATIC NAME: N-(2-azanyl-5-thiophen-2-yl-phenyl)-4-[(1S)-1,2-bis(azanyl)-2-oxidanylidene-ethyl]benzamide
MOLECULAR FORMULA: C19H18N4O2S
MOLECULAR WEIGHT: 366.43682
SMILES: C1=CSC(=C1)C2=CC(=C(C=C2)N)NC(=O)C3=CC=C(C=C3)[C@@H](C(=O)N)N
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Product OPENEYE NAME: 1-benzyl-7-[(2,6-dimethylphenyl)methylamino]-3-(hydroxymethyl)-N,N,2-trimethyl-pyrrolo[3,2-b]pyridine-5-carboxamide
CAS Name: 7-[(2,6-dimethylphenyl)methylamino]-3-(hydroxymethyl)-N,N,2-trimethyl-1-(phenylmethyl)-5-pyrrolo[3,2-b]pyridinecarboxamide
IUPAC NAME: 1-benzyl-7-[(2,6-dimethylphenyl)methylamino]-3-(hydroxymethyl)-N,N,2-trimethylpyrrolo[3,2-b]pyridine-5-carboxamide
SYSTEMATIC NAME: 7-[(2,6-dimethylphenyl)methylamino]-3-(hydroxymethyl)-N,N,2-trimethyl-1-(phenylmethyl)pyrrolo[3,2-b]pyridine-5-carboxamide
MOLECULAR FORMULA: C28H32N4O2
MOLECULAR WEIGHT: 456.57928
SMILES: CC1=C(C(=CC=C1)C)CNC2=CC(=NC3=C2N(C(=C3CO)C)CC4=CC=CC=C4)C(=O)N(C)C
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