Thursday, May 2, 2013

All Chemical Compounds Information




Product OPENEYE NAME: methyl 3-[[2-(2-bromoanilino)-2-oxo-ethyl]-methyl-amino]propanoate
CAS Name: 3-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]propanoic acid methyl ester
IUPAC NAME: methyl 3-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]propanoate
SYSTEMATIC NAME: methyl 3-[[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]propanoate
MOLECULAR FORMULA: C13H17BrN2O3
MOLECULAR WEIGHT: 329.18968
SMILES: CN(CCC(=O)OC)CC(=O)NC1=CC=CC=C1Br
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Product OPENEYE NAME: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CAS Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
IUPAC NAME: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SYSTEMATIC NAME: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
MOLECULAR FORMULA: C20H20ClNO5
MOLECULAR WEIGHT: 389.8295
SMILES: COC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC4=C(C(=C3)Cl)OCCO4)OC
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Product OPENEYE NAME: methyl 2-[[[2-(2-bromoanilino)-2-oxo-ethyl]-methyl-amino]methyl]furan-3-carboxylate
CAS Name: 2-[[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]methyl]-3-furancarboxylic acid methyl ester
IUPAC NAME: methyl 2-[[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]methyl]furan-3-carboxylate
SYSTEMATIC NAME: methyl 2-[[[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]methyl]furan-3-carboxylate
MOLECULAR FORMULA: C16H17BrN2O4
MOLECULAR WEIGHT: 381.22118
SMILES: CN(CC1=C(C=CO1)C(=O)OC)CC(=O)NC2=CC=CC=C2Br
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Product OPENEYE NAME: N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(5-methyl-2-furyl)thiazole-4-carboxamide
CAS Name: N-[(2S)-2-(2-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2-(5-methyl-2-furanyl)-4-thiazolecarboxamide
IUPAC NAME: N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
SYSTEMATIC NAME: N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
MOLECULAR FORMULA: C22H26N3O3S+
MOLECULAR WEIGHT: 412.52514
SMILES: CC1=CC=C(O1)C2=NC(=CS2)C(=O)NC[C@H](C3=CC=CC=C3OC)[NH+]4CCCC4
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Product OPENEYE NAME: N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-2-(5-methyl-2-furyl)thiazole-4-carboxamide
CAS Name: N-[(2S)-2-(2-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]-2-(5-methyl-2-furanyl)-4-thiazolecarboxamide
IUPAC NAME: N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
SYSTEMATIC NAME: N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
MOLECULAR FORMULA: C22H25N3O3S
MOLECULAR WEIGHT: 411.5172
SMILES: CC1=CC=C(O1)C2=NC(=CS2)C(=O)NC[C@H](C3=CC=CC=C3OC)N4CCCC4
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Product OPENEYE NAME: N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(5-methyl-2-furyl)thiazole-4-carboxamide
CAS Name: N-[(2R)-2-(2-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2-(5-methyl-2-furanyl)-4-thiazolecarboxamide
IUPAC NAME: N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
SYSTEMATIC NAME: N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
MOLECULAR FORMULA: C22H26N3O3S+
MOLECULAR WEIGHT: 412.52514
SMILES: CC1=CC=C(O1)C2=NC(=CS2)C(=O)NC[C@@H](C3=CC=CC=C3OC)[NH+]4CCCC4
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Product OPENEYE NAME: N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-2-(5-methyl-2-furyl)thiazole-4-carboxamide
CAS Name: N-[(2R)-2-(2-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]-2-(5-methyl-2-furanyl)-4-thiazolecarboxamide
IUPAC NAME: N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
SYSTEMATIC NAME: N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
MOLECULAR FORMULA: C22H25N3O3S
MOLECULAR WEIGHT: 411.5172
SMILES: CC1=CC=C(O1)C2=NC(=CS2)C(=O)NC[C@@H](C3=CC=CC=C3OC)N4CCCC4
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Product OPENEYE NAME: methyl 4-[[[2-(2-bromoanilino)-2-oxo-ethyl]-methyl-amino]methyl]benzoate
CAS Name: 4-[[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]methyl]benzoic acid methyl ester
IUPAC NAME: methyl 4-[[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]methyl]benzoate
SYSTEMATIC NAME: methyl 4-[[[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]methyl]benzoate
MOLECULAR FORMULA: C18H19BrN2O3
MOLECULAR WEIGHT: 391.25906
SMILES: CN(CC1=CC=C(C=C1)C(=O)OC)CC(=O)NC2=CC=CC=C2Br
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Product OPENEYE NAME: 3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-morpholino-benzenesulfonamide
CAS Name: 3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-oxomethyl]-4-(4-morpholinyl)benzenesulfonamide
IUPAC NAME: 3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-morpholin-4-ylbenzenesulfonamide
SYSTEMATIC NAME: 3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]-4-morpholin-4-yl-benzenesulfonamide
MOLECULAR FORMULA: C22H27N3O6S
MOLECULAR WEIGHT: 461.53128
SMILES: COC1=C(C=C2CN(CCC2=C1)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N)N4CCOCC4)OC
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Product OPENEYE NAME: N-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxo-propyl]thiophene-3-carboxamide
CAS Name: N-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-3-thiophenecarboxamide
IUPAC NAME: N-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]thiophene-3-carboxamide
SYSTEMATIC NAME: N-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]thiophene-3-carboxamide
MOLECULAR FORMULA: C19H22N2O4S
MOLECULAR WEIGHT: 374.45398
SMILES: COC1=C(C=C2CN(CCC2=C1)C(=O)CCNC(=O)C3=CSC=C3)OC
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Product OPENEYE NAME: [1-(2,4-difluorobenzoyl)-4-piperidyl]-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CAS Name: [1-[(2,4-difluorophenyl)-oxomethyl]-4-piperidinyl]-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
IUPAC NAME: [1-(2,4-difluorobenzoyl)piperidin-4-yl]-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SYSTEMATIC NAME: [1-[2,4-bis(fluoranyl)phenyl]carbonylpiperidin-4-yl]-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
MOLECULAR FORMULA: C24H26F2N2O4
MOLECULAR WEIGHT: 444.471046
SMILES: COC1=C(C=C2CN(CCC2=C1)C(=O)C3CCN(CC3)C(=O)C4=C(C=C(C=C4)F)F)OC
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Product OPENEYE NAME: 2-[4-(2,4-dichloro-5-fluoro-benzoyl)piperazin-1-ium-1-yl]-1-[(2R)-2-methyl-1-piperidyl]ethanone
CAS Name: 2-[4-[(2,4-dichloro-5-fluorophenyl)-oxomethyl]-1-piperazin-1-iumyl]-1-[(2R)-2-methyl-1-piperidinyl]ethanone
IUPAC NAME: 2-[4-(2,4-dichloro-5-fluorobenzoyl)piperazin-1-ium-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
SYSTEMATIC NAME: 2-[4-[2,4-bis(chloranyl)-5-fluoranyl-phenyl]carbonylpiperazin-1-ium-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
MOLECULAR FORMULA: C19H25Cl2FN3O2+
MOLECULAR WEIGHT: 417.325103
SMILES: C[C@@H]1CCCCN1C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=C(C=C3Cl)Cl)F
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Product OPENEYE NAME: 2-[4-(2,4-dichloro-5-fluoro-benzoyl)piperazin-1-yl]-1-[(2R)-2-methyl-1-piperidyl]ethanone
CAS Name: 2-[4-[(2,4-dichloro-5-fluorophenyl)-oxomethyl]-1-piperazinyl]-1-[(2R)-2-methyl-1-piperidinyl]ethanone
IUPAC NAME: 2-[4-(2,4-dichloro-5-fluorobenzoyl)piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
SYSTEMATIC NAME: 2-[4-[2,4-bis(chloranyl)-5-fluoranyl-phenyl]carbonylpiperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
MOLECULAR FORMULA: C19H24Cl2FN3O2
MOLECULAR WEIGHT: 416.317163
SMILES: C[C@@H]1CCCCN1C(=O)CN2CCN(CC2)C(=O)C3=CC(=C(C=C3Cl)Cl)F
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Product OPENEYE NAME: 2-[4-(2,4-dichloro-5-fluoro-benzoyl)piperazin-1-ium-1-yl]-1-[(2S)-2-methyl-1-piperidyl]ethanone
CAS Name: 2-[4-[(2,4-dichloro-5-fluorophenyl)-oxomethyl]-1-piperazin-1-iumyl]-1-[(2S)-2-methyl-1-piperidinyl]ethanone
IUPAC NAME: 2-[4-(2,4-dichloro-5-fluorobenzoyl)piperazin-1-ium-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
SYSTEMATIC NAME: 2-[4-[2,4-bis(chloranyl)-5-fluoranyl-phenyl]carbonylpiperazin-1-ium-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
MOLECULAR FORMULA: C19H25Cl2FN3O2+
MOLECULAR WEIGHT: 417.325103
SMILES: C[C@H]1CCCCN1C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=C(C=C3Cl)Cl)F
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