Saturday, January 5, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 2-[(3S)-1-(benzenesulfonyl)pyrrolidin-3-yl]-6-(trifluoromethyl)-1H-benzimidazole
CAS Name: 2-[(3S)-1-(benzenesulfonyl)-3-pyrrolidinyl]-6-(trifluoromethyl)-1H-benzimidazole
IUPAC NAME: 2-[(3S)-1-(benzenesulfonyl)pyrrolidin-3-yl]-6-(trifluoromethyl)-1H-benzimidazole
SYSTEMATIC NAME: 2-[(3S)-1-(phenylsulfonyl)pyrrolidin-3-yl]-6-(trifluoromethyl)-1H-benzimidazole
MOLECULAR FORMULA: C18H16F3N3O2S
MOLECULAR WEIGHT: 395.39875
SMILES: C1CN(C[C@H]1C2=NC3=C(N2)C=C(C=C3)C(F)(F)F)S(=O)(=O)C4=CC=CC=C4
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Product OPENEYE NAME: [(3S)-3-(6-methoxy-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-phenyl-methanone
CAS Name: [(3S)-3-(6-methoxy-1H-benzimidazol-2-yl)-1-pyrrolidinyl]-phenylmethanone
IUPAC NAME: [(3S)-3-(6-methoxy-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-phenylmethanone
SYSTEMATIC NAME: [(3S)-3-(6-methoxy-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-phenyl-methanone
MOLECULAR FORMULA: C19H19N3O2
MOLECULAR WEIGHT: 321.37306
SMILES: COC1=CC2=C(C=C1)N=C(N2)[C@H]3CCN(C3)C(=O)C4=CC=CC=C4
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Product OPENEYE NAME: 2-methoxy-1-[(3S)-3-(6-methoxy-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CAS Name: 2-methoxy-1-[(3S)-3-(6-methoxy-1H-benzimidazol-2-yl)-1-pyrrolidinyl]ethanone
IUPAC NAME: 2-methoxy-1-[(3S)-3-(6-methoxy-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
SYSTEMATIC NAME: 2-methoxy-1-[(3S)-3-(6-methoxy-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
MOLECULAR FORMULA: C15H19N3O3
MOLECULAR WEIGHT: 289.32966
SMILES: COCC(=O)N1CC[C@@H](C1)C2=NC3=C(N2)C=C(C=C3)OC
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Product OPENEYE NAME: cyclopentyl-[(3S)-3-(6-methoxy-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
CAS Name: cyclopentyl-[(3S)-3-(6-methoxy-1H-benzimidazol-2-yl)-1-pyrrolidinyl]methanone
IUPAC NAME: cyclopentyl-[(3S)-3-(6-methoxy-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
SYSTEMATIC NAME: cyclopentyl-[(3S)-3-(6-methoxy-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
MOLECULAR FORMULA: C18H23N3O2
MOLECULAR WEIGHT: 313.39412
SMILES: COC1=CC2=C(C=C1)N=C(N2)[C@H]3CCN(C3)C(=O)C4CCCC4
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Product OPENEYE NAME: 4-[(3S)-3-(6-methoxy-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-4-oxo-butanoic acid
CAS Name: 4-[(3S)-3-(6-methoxy-1H-benzimidazol-2-yl)-1-pyrrolidinyl]-4-oxobutanoic acid
IUPAC NAME: 4-[(3S)-3-(6-methoxy-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-4-oxobutanoic acid
SYSTEMATIC NAME: 4-[(3S)-3-(6-methoxy-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C16H19N3O4
MOLECULAR WEIGHT: 317.33976
SMILES: COC1=CC2=C(C=C1)N=C(N2)[C@H]3CCN(C3)C(=O)CCC(=O)O
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Product OPENEYE NAME: (3S)-N-ethyl-3-(6-methoxy-1H-benzimidazol-2-yl)pyrrolidine-1-carboxamide
CAS Name: (3S)-N-ethyl-3-(6-methoxy-1H-benzimidazol-2-yl)-1-pyrrolidinecarboxamide
IUPAC NAME: (3S)-N-ethyl-3-(6-methoxy-1H-benzimidazol-2-yl)pyrrolidine-1-carboxamide
SYSTEMATIC NAME: (3S)-N-ethyl-3-(6-methoxy-1H-benzimidazol-2-yl)pyrrolidine-1-carboxamide
MOLECULAR FORMULA: C15H20N4O2
MOLECULAR WEIGHT: 288.3449
SMILES: CCNC(=O)N1CC[C@@H](C1)C2=NC3=C(N2)C=C(C=C3)OC
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Product OPENEYE NAME: (3S)-3-(6-methoxy-1H-benzimidazol-2-yl)-N-phenyl-pyrrolidine-1-carboxamide
CAS Name: (3S)-3-(6-methoxy-1H-benzimidazol-2-yl)-N-phenyl-1-pyrrolidinecarboxamide
IUPAC NAME: (3S)-3-(6-methoxy-1H-benzimidazol-2-yl)-N-phenylpyrrolidine-1-carboxamide
SYSTEMATIC NAME: (3S)-3-(6-methoxy-1H-benzimidazol-2-yl)-N-phenyl-pyrrolidine-1-carboxamide
MOLECULAR FORMULA: C19H20N4O2
MOLECULAR WEIGHT: 336.3877
SMILES: COC1=CC2=C(C=C1)N=C(N2)[C@H]3CCN(C3)C(=O)NC4=CC=CC=C4
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Product OPENEYE NAME: 1-[(3S)-3-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)pyrrolidin-1-yl]ethanone
CAS Name: 1-[(3S)-3-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)-1-pyrrolidinyl]ethanone
IUPAC NAME: 1-[(3S)-3-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)pyrrolidin-1-yl]ethanone
SYSTEMATIC NAME: 1-[(3S)-3-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)pyrrolidin-1-yl]ethanone
MOLECULAR FORMULA: C15H18N2O4S
MOLECULAR WEIGHT: 322.37942
SMILES: CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)[C@H]3CCN(C3)C(=O)C
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Product OPENEYE NAME: cyclopropyl-[(3S)-3-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)pyrrolidin-1-yl]methanone
CAS Name: cyclopropyl-[(3S)-3-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)-1-pyrrolidinyl]methanone
IUPAC NAME: cyclopropyl-[(3S)-3-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)pyrrolidin-1-yl]methanone
SYSTEMATIC NAME: cyclopropyl-[(3S)-3-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)pyrrolidin-1-yl]methanone
MOLECULAR FORMULA: C17H20N2O4S
MOLECULAR WEIGHT: 348.4167
SMILES: CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)[C@H]3CCN(C3)C(=O)C4CC4
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Product OPENEYE NAME: [(3S)-3-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)pyrrolidin-1-yl]-(3-pyridyl)methanone
CAS Name: [(3S)-3-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)-1-pyrrolidinyl]-(3-pyridinyl)methanone
IUPAC NAME: [(3S)-3-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
SYSTEMATIC NAME: [(3S)-3-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)pyrrolidin-1-yl]-pyridin-3-yl-methanone
MOLECULAR FORMULA: C19H19N3O4S
MOLECULAR WEIGHT: 385.43686
SMILES: CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)[C@H]3CCN(C3)C(=O)C4=CN=CC=C4
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Product OPENEYE NAME: 4-[(3S)-3-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)pyrrolidin-1-yl]-4-oxo-butanoic acid
CAS Name: 4-[(3S)-3-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)-1-pyrrolidinyl]-4-oxobutanoic acid
IUPAC NAME: 4-[(3S)-3-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)pyrrolidin-1-yl]-4-oxobutanoic acid
SYSTEMATIC NAME: 4-[(3S)-3-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)pyrrolidin-1-yl]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C17H20N2O6S
MOLECULAR WEIGHT: 380.4155
SMILES: CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)[C@H]3CCN(C3)C(=O)CCC(=O)O
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Product OPENEYE NAME: 2-[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine
CAS Name: 2-[(3S)-1-[(4-methoxyphenyl)methyl]-3-pyrrolidinyl]-1H-imidazo[4,5-b]pyridine
IUPAC NAME: 2-[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine
SYSTEMATIC NAME: 2-[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine
MOLECULAR FORMULA: C18H20N4O
MOLECULAR WEIGHT: 308.3776
SMILES: COC1=CC=C(C=C1)CN2CC[C@@H](C2)C3=NC4=C(N3)C=CC=N4
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Product OPENEYE NAME: 2-[(3S)-1-benzylpyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine
CAS Name: 2-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]-1H-imidazo[4,5-b]pyridine
IUPAC NAME: 2-[(3S)-1-benzylpyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine
SYSTEMATIC NAME: 2-[(3S)-1-(phenylmethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine
MOLECULAR FORMULA: C17H18N4
MOLECULAR WEIGHT: 278.35162
SMILES: C1CN(C[C@H]1C2=NC3=C(N2)C=CC=N3)CC4=CC=CC=C4
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Product OPENEYE NAME: 2-[(3S)-1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine
CAS Name: 2-[(3S)-1-[(3-chlorophenyl)methyl]-3-pyrrolidinyl]-1H-imidazo[4,5-b]pyridine
IUPAC NAME: 2-[(3S)-1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine
SYSTEMATIC NAME: 2-[(3S)-1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine
MOLECULAR FORMULA: C17H17ClN4
MOLECULAR WEIGHT: 312.79668
SMILES: C1CN(C[C@H]1C2=NC3=C(N2)C=CC=N3)CC4=CC(=CC=C4)Cl
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Product OPENEYE NAME: 2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine
CAS Name: 2-[(3S)-1-cyclobutyl-3-pyrrolidinyl]-1H-imidazo[4,5-b]pyridine
IUPAC NAME: 2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine
SYSTEMATIC NAME: 2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine
MOLECULAR FORMULA: C14H18N4
MOLECULAR WEIGHT: 242.31952
SMILES: C1CC(C1)N2CC[C@@H](C2)C3=NC4=C(N3)C=CC=N4
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Product OPENEYE NAME: 2-[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine
CAS Name: 2-[(3S)-1-[(2-fluorophenyl)methyl]-3-pyrrolidinyl]-1H-imidazo[4,5-b]pyridine
IUPAC NAME: 2-[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine
SYSTEMATIC NAME: 2-[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine
MOLECULAR FORMULA: C17H17FN4
MOLECULAR WEIGHT: 296.342083
SMILES: C1CN(C[C@H]1C2=NC3=C(N2)C=CC=N3)CC4=CC=CC=C4F
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Product OPENEYE NAME: 2-[(3S)-1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine
CAS Name: 2-[(3S)-1-(1,3-benzodioxol-5-ylmethyl)-3-pyrrolidinyl]-1H-imidazo[4,5-b]pyridine
IUPAC NAME: 2-[(3S)-1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine
SYSTEMATIC NAME: 2-[(3S)-1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine
MOLECULAR FORMULA: C18H18N4O2
MOLECULAR WEIGHT: 322.36112
SMILES: C1CN(C[C@H]1C2=NC3=C(N2)C=CC=N3)CC4=CC5=C(C=C4)OCO5
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