Monday, May 27, 2013

All Chemical Compounds Information




Product OPENEYE NAME: (3aR)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide
CAS Name: (3aR)-N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide
IUPAC NAME: (3aR)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide
SYSTEMATIC NAME: (3aR)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-1-oxidanylidene-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide
MOLECULAR FORMULA: C25H30N3O3S+
MOLECULAR WEIGHT: 452.589
SMILES: COC1=CC=C(C=C1)[C@H](CNC(=O)[C@]23CCC(=O)N2C4=CC=CC=C4S3)[NH+]5CCCCC5
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Product OPENEYE NAME: (3aR)-N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidyl)ethyl]-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide
CAS Name: (3aR)-N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidinyl)ethyl]-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide
IUPAC NAME: (3aR)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide
SYSTEMATIC NAME: (3aR)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]-1-oxidanylidene-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide
MOLECULAR FORMULA: C25H29N3O3S
MOLECULAR WEIGHT: 451.58106
SMILES: COC1=CC=C(C=C1)[C@H](CNC(=O)[C@]23CCC(=O)N2C4=CC=CC=C4S3)N5CCCCC5
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Product OPENEYE NAME: N-[(2S)-2-(4-methoxyphenyl)-2-morpholino-ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CAS Name: N-[(2S)-2-(4-methoxyphenyl)-2-(4-morpholinyl)ethyl]-6-(2,2,2-trifluoroethoxy)-3-pyridinecarboxamide
IUPAC NAME: N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SYSTEMATIC NAME: N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-yl-ethyl]-6-[2,2,2-tris(fluoranyl)ethoxy]pyridine-3-carboxamide
MOLECULAR FORMULA: C21H24F3N3O4
MOLECULAR WEIGHT: 439.42817
SMILES: COC1=CC=C(C=C1)[C@@H](CNC(=O)C2=CN=C(C=C2)OCC(F)(F)F)N3CCOCC3
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Product OPENEYE NAME: N-[(2R)-2-(4-methoxyphenyl)-2-morpholino-ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(4-morpholinyl)ethyl]-6-(2,2,2-trifluoroethoxy)-3-pyridinecarboxamide
IUPAC NAME: N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SYSTEMATIC NAME: N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-yl-ethyl]-6-[2,2,2-tris(fluoranyl)ethoxy]pyridine-3-carboxamide
MOLECULAR FORMULA: C21H24F3N3O4
MOLECULAR WEIGHT: 439.42817
SMILES: COC1=CC=C(C=C1)[C@H](CNC(=O)C2=CN=C(C=C2)OCC(F)(F)F)N3CCOCC3
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Product OPENEYE NAME: 2-[[2-[(1S,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]acetyl]-methyl-amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CAS Name: 2-[methyl-[2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-oxoethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
IUPAC NAME: 2-[methyl-[2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
SYSTEMATIC NAME: 2-[methyl-[2-[(1S,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxyethanoyl]amino]-N-[2-(trifluoromethyl)phenyl]ethanamide
MOLECULAR FORMULA: C22H31F3N2O3
MOLECULAR WEIGHT: 428.48835
SMILES: C[C@@H]1CC[C@H]([C@H](C1)OCC(=O)N(C)CC(=O)NC2=CC=CC=C2C(F)(F)F)C(C)C
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Product OPENEYE NAME: 2-[[2-[(1S,2R,5R)-2-isopropyl-5-methyl-cyclohexoxy]acetyl]-methyl-amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CAS Name: 2-[methyl-[2-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-oxoethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
IUPAC NAME: 2-[methyl-[2-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
SYSTEMATIC NAME: 2-[methyl-[2-[(1S,2R,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxyethanoyl]amino]-N-[2-(trifluoromethyl)phenyl]ethanamide
MOLECULAR FORMULA: C22H31F3N2O3
MOLECULAR WEIGHT: 428.48835
SMILES: C[C@@H]1CC[C@@H]([C@H](C1)OCC(=O)N(C)CC(=O)NC2=CC=CC=C2C(F)(F)F)C(C)C
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Product OPENEYE NAME: 2-[[2-[(1S,2S,5S)-2-isopropyl-5-methyl-cyclohexoxy]acetyl]-methyl-amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CAS Name: 2-[methyl-[2-[(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-oxoethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
IUPAC NAME: 2-[methyl-[2-[(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
SYSTEMATIC NAME: 2-[methyl-[2-[(1S,2S,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxyethanoyl]amino]-N-[2-(trifluoromethyl)phenyl]ethanamide
MOLECULAR FORMULA: C22H31F3N2O3
MOLECULAR WEIGHT: 428.48835
SMILES: C[C@H]1CC[C@H]([C@H](C1)OCC(=O)N(C)CC(=O)NC2=CC=CC=C2C(F)(F)F)C(C)C
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Product OPENEYE NAME: 2-[[2-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]acetyl]-methyl-amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CAS Name: 2-[methyl-[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-oxoethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
IUPAC NAME: 2-[methyl-[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
SYSTEMATIC NAME: 2-[methyl-[2-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxyethanoyl]amino]-N-[2-(trifluoromethyl)phenyl]ethanamide
MOLECULAR FORMULA: C22H31F3N2O3
MOLECULAR WEIGHT: 428.48835
SMILES: C[C@H]1CC[C@@H]([C@H](C1)OCC(=O)N(C)CC(=O)NC2=CC=CC=C2C(F)(F)F)C(C)C
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Product OPENEYE NAME: 2-[2,5-dimethyl-3-(2-methylthiazol-4-yl)pyrrol-1-yl]-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide
CAS Name: 2-[2,5-dimethyl-3-(2-methyl-4-thiazolyl)-1-pyrrolyl]-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide
IUPAC NAME: 2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide
SYSTEMATIC NAME: 2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-methyl-N-[2-oxidanylidene-2-[[2-(trifluoromethyl)phenyl]amino]ethyl]ethanamide
MOLECULAR FORMULA: C22H23F3N4O2S
MOLECULAR WEIGHT: 464.50383
SMILES: CC1=CC(=C(N1CC(=O)N(C)CC(=O)NC2=CC=CC=C2C(F)(F)F)C)C3=CSC(=N3)C
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Product OPENEYE NAME: (3R)-N-(2-acetamidoethyl)-1-[(5-bromo-2-thienyl)sulfonyl]piperidine-3-carboxamide
CAS Name: (3R)-N-(2-acetamidoethyl)-1-[(5-bromo-2-thiophenyl)sulfonyl]-3-piperidinecarboxamide
IUPAC NAME: (3R)-N-(2-acetamidoethyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxamide
SYSTEMATIC NAME: (3R)-N-(2-acetamidoethyl)-1-(5-bromanylthiophen-2-yl)sulfonyl-piperidine-3-carboxamide
MOLECULAR FORMULA: C14H20BrN3O4S2
MOLECULAR WEIGHT: 438.3603
SMILES: CC(=O)NCCNC(=O)[C@@H]1CCCN(C1)S(=O)(=O)C2=CC=C(S2)Br
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Product OPENEYE NAME: (3S)-N-(2-acetamidoethyl)-1-[(5-bromo-2-thienyl)sulfonyl]piperidine-3-carboxamide
CAS Name: (3S)-N-(2-acetamidoethyl)-1-[(5-bromo-2-thiophenyl)sulfonyl]-3-piperidinecarboxamide
IUPAC NAME: (3S)-N-(2-acetamidoethyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxamide
SYSTEMATIC NAME: (3S)-N-(2-acetamidoethyl)-1-(5-bromanylthiophen-2-yl)sulfonyl-piperidine-3-carboxamide
MOLECULAR FORMULA: C14H20BrN3O4S2
MOLECULAR WEIGHT: 438.3603
SMILES: CC(=O)NCCNC(=O)[C@H]1CCCN(C1)S(=O)(=O)C2=CC=C(S2)Br
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Product OPENEYE NAME: N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-6-chloro-pyridine-3-carboxamide
CAS Name: 6-chloro-N-[[(2R)-4-(phenylmethyl)-2-morpholinyl]methyl]-3-pyridinecarboxamide
IUPAC NAME: N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-6-chloropyridine-3-carboxamide
SYSTEMATIC NAME: 6-chloranyl-N-[[(2R)-4-(phenylmethyl)morpholin-2-yl]methyl]pyridine-3-carboxamide
MOLECULAR FORMULA: C18H20ClN3O2
MOLECULAR WEIGHT: 345.8233
SMILES: C1CO[C@@H](CN1CC2=CC=CC=C2)CNC(=O)C3=CN=C(C=C3)Cl
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Product OPENEYE NAME: N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-6-chloro-pyridine-3-carboxamide
CAS Name: 6-chloro-N-[[(2S)-4-(phenylmethyl)-2-morpholinyl]methyl]-3-pyridinecarboxamide
IUPAC NAME: N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-6-chloropyridine-3-carboxamide
SYSTEMATIC NAME: 6-chloranyl-N-[[(2S)-4-(phenylmethyl)morpholin-2-yl]methyl]pyridine-3-carboxamide
MOLECULAR FORMULA: C18H20ClN3O2
MOLECULAR WEIGHT: 345.8233
SMILES: C1CO[C@H](CN1CC2=CC=CC=C2)CNC(=O)C3=CN=C(C=C3)Cl
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Product OPENEYE NAME: N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-2-(methylamino)-5-nitro-benzamide
CAS Name: 2-(methylamino)-5-nitro-N-[[(2R)-4-(phenylmethyl)-2-morpholinyl]methyl]benzamide
IUPAC NAME: N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-2-(methylamino)-5-nitrobenzamide
SYSTEMATIC NAME: 2-(methylamino)-5-nitro-N-[[(2R)-4-(phenylmethyl)morpholin-2-yl]methyl]benzamide
MOLECULAR FORMULA: C20H24N4O4
MOLECULAR WEIGHT: 384.42896
SMILES: CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC[C@@H]2CN(CCO2)CC3=CC=CC=C3
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Product OPENEYE NAME: N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(methylamino)-5-nitro-benzamide
CAS Name: 2-(methylamino)-5-nitro-N-[[(2S)-4-(phenylmethyl)-2-morpholinyl]methyl]benzamide
IUPAC NAME: N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(methylamino)-5-nitrobenzamide
SYSTEMATIC NAME: 2-(methylamino)-5-nitro-N-[[(2S)-4-(phenylmethyl)morpholin-2-yl]methyl]benzamide
MOLECULAR FORMULA: C20H24N4O4
MOLECULAR WEIGHT: 384.42896
SMILES: CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC[C@H]2CN(CCO2)CC3=CC=CC=C3
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Product OPENEYE NAME: (3S)-N-[[(2R)-4-benzylmorpholin-2-yl]methyl]chromane-3-carboxamide
CAS Name: (3S)-N-[[(2R)-4-(phenylmethyl)-2-morpholinyl]methyl]-3,4-dihydro-2H-1-benzopyran-3-carboxamide
IUPAC NAME: (3S)-N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
SYSTEMATIC NAME: (3S)-N-[[(2R)-4-(phenylmethyl)morpholin-2-yl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
MOLECULAR FORMULA: C22H26N2O3
MOLECULAR WEIGHT: 366.45344
SMILES: C1CO[C@@H](CN1CC2=CC=CC=C2)CNC(=O)[C@H]3CC4=CC=CC=C4OC3
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Product OPENEYE NAME: (3S)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]chromane-3-carboxamide
CAS Name: (3S)-N-[[(2S)-4-(phenylmethyl)-2-morpholinyl]methyl]-3,4-dihydro-2H-1-benzopyran-3-carboxamide
IUPAC NAME: (3S)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
SYSTEMATIC NAME: (3S)-N-[[(2S)-4-(phenylmethyl)morpholin-2-yl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
MOLECULAR FORMULA: C22H26N2O3
MOLECULAR WEIGHT: 366.45344
SMILES: C1CO[C@H](CN1CC2=CC=CC=C2)CNC(=O)[C@H]3CC4=CC=CC=C4OC3
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Product OPENEYE NAME: N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-2,6-dimethyl-quinoline-3-carboxamide
CAS Name: 2,6-dimethyl-N-[[(2R)-4-(phenylmethyl)-2-morpholinyl]methyl]-3-quinolinecarboxamide
IUPAC NAME: N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-2,6-dimethylquinoline-3-carboxamide
SYSTEMATIC NAME: 2,6-dimethyl-N-[[(2R)-4-(phenylmethyl)morpholin-2-yl]methyl]quinoline-3-carboxamide
MOLECULAR FORMULA: C24H27N3O2
MOLECULAR WEIGHT: 389.49008
SMILES: CC1=CC2=CC(=C(N=C2C=C1)C)C(=O)NC[C@@H]3CN(CCO3)CC4=CC=CC=C4
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Product OPENEYE NAME: N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2,6-dimethyl-quinoline-3-carboxamide
CAS Name: 2,6-dimethyl-N-[[(2S)-4-(phenylmethyl)-2-morpholinyl]methyl]-3-quinolinecarboxamide
IUPAC NAME: N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2,6-dimethylquinoline-3-carboxamide
SYSTEMATIC NAME: 2,6-dimethyl-N-[[(2S)-4-(phenylmethyl)morpholin-2-yl]methyl]quinoline-3-carboxamide
MOLECULAR FORMULA: C24H27N3O2
MOLECULAR WEIGHT: 389.49008
SMILES: CC1=CC2=CC(=C(N=C2C=C1)C)C(=O)NC[C@H]3CN(CCO3)CC4=CC=CC=C4
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Product OPENEYE NAME: N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-6-methoxy-2-methyl-quinoline-3-carboxamide
CAS Name: 6-methoxy-2-methyl-N-[[(2R)-4-(phenylmethyl)-2-morpholinyl]methyl]-3-quinolinecarboxamide
IUPAC NAME: N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-6-methoxy-2-methylquinoline-3-carboxamide
SYSTEMATIC NAME: 6-methoxy-2-methyl-N-[[(2R)-4-(phenylmethyl)morpholin-2-yl]methyl]quinoline-3-carboxamide
MOLECULAR FORMULA: C24H27N3O3
MOLECULAR WEIGHT: 405.48948
SMILES: CC1=C(C=C2C=C(C=CC2=N1)OC)C(=O)NC[C@@H]3CN(CCO3)CC4=CC=CC=C4
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