Monday, May 27, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 3-[5-(4-chlorophenyl)oxazol-2-yl]-N-(2-methyl-2-morpholino-propyl)propanamide
CAS Name: 3-[5-(4-chlorophenyl)-2-oxazolyl]-N-[2-methyl-2-(4-morpholinyl)propyl]propanamide
IUPAC NAME: 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide
SYSTEMATIC NAME: 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-methyl-2-morpholin-4-yl-propyl)propanamide
MOLECULAR FORMULA: C20H26ClN3O3
MOLECULAR WEIGHT: 391.89174
SMILES: CC(C)(CNC(=O)CCC1=NC=C(O1)C2=CC=C(C=C2)Cl)N3CCOCC3
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Product OPENEYE NAME: 3-[5-(4-fluorophenyl)oxazol-2-yl]-N-(2-methyl-2-morpholino-propyl)propanamide
CAS Name: 3-[5-(4-fluorophenyl)-2-oxazolyl]-N-[2-methyl-2-(4-morpholinyl)propyl]propanamide
IUPAC NAME: 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide
SYSTEMATIC NAME: 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methyl-2-morpholin-4-yl-propyl)propanamide
MOLECULAR FORMULA: C20H26FN3O3
MOLECULAR WEIGHT: 375.437143
SMILES: CC(C)(CNC(=O)CCC1=NC=C(O1)C2=CC=C(C=C2)F)N3CCOCC3
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Product OPENEYE NAME: N-(2-methyl-2-morpholino-propyl)-9-oxo-fluorene-2-carboxamide
CAS Name: N-[2-methyl-2-(4-morpholinyl)propyl]-9-oxo-2-fluorenecarboxamide
IUPAC NAME: N-(2-methyl-2-morpholin-4-ylpropyl)-9-oxofluorene-2-carboxamide
SYSTEMATIC NAME: N-(2-methyl-2-morpholin-4-yl-propyl)-9-oxidanylidene-fluorene-2-carboxamide
MOLECULAR FORMULA: C22H24N2O3
MOLECULAR WEIGHT: 364.43756
SMILES: CC(C)(CNC(=O)C1=CC2=C(C=C1)C3=CC=CC=C3C2=O)N4CCOCC4
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Product OPENEYE NAME: N-(2-methyl-2-morpholino-propyl)-3-(1,3,4,6-tetramethylpyrazolo[3,4-b]pyridin-5-yl)propanamide
CAS Name: N-[2-methyl-2-(4-morpholinyl)propyl]-3-(1,3,4,6-tetramethyl-5-pyrazolo[3,4-b]pyridinyl)propanamide
IUPAC NAME: N-(2-methyl-2-morpholin-4-ylpropyl)-3-(1,3,4,6-tetramethylpyrazolo[3,4-b]pyridin-5-yl)propanamide
SYSTEMATIC NAME: N-(2-methyl-2-morpholin-4-yl-propyl)-3-(1,3,4,6-tetramethylpyrazolo[3,4-b]pyridin-5-yl)propanamide
MOLECULAR FORMULA: C21H33N5O2
MOLECULAR WEIGHT: 387.51902
SMILES: CC1=C2C(=NN(C2=NC(=C1CCC(=O)NCC(C)(C)N3CCOCC3)C)C)C
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Product OPENEYE NAME: N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-2-[2,5-dimethyl-3-(2-methylthiazol-4-yl)pyrrol-1-yl]-N-methyl-acetamide
CAS Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-[2,5-dimethyl-3-(2-methyl-4-thiazolyl)-1-pyrrolyl]-N-methylacetamide
IUPAC NAME: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-methylacetamide
SYSTEMATIC NAME: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-methyl-ethanamide
MOLECULAR FORMULA: C22H25BrN4O2S
MOLECULAR WEIGHT: 489.4285
SMILES: CC1=CC(=C(N1CC(=O)N(C)CC(=O)NC2=C(C=C(C=C2)Br)C)C)C3=CSC(=N3)C
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Product OPENEYE NAME: (2,4-dimethylphenyl) 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoate
CAS Name: 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoic acid (2,4-dimethylphenyl) ester
IUPAC NAME: (2,4-dimethylphenyl) 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoate
SYSTEMATIC NAME: (2,4-dimethylphenyl) 4-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoate
MOLECULAR FORMULA: C22H19N3O5S
MOLECULAR WEIGHT: 437.46836
SMILES: CC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)NC(=O)N4)C
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Product OPENEYE NAME: 4-anilino-N-[2-(cyclopropylcarbamoyl)phenyl]-3-nitro-benzamide
CAS Name: 4-anilino-N-[2-[(cyclopropylamino)-oxomethyl]phenyl]-3-nitrobenzamide
IUPAC NAME: 4-anilino-N-[2-(cyclopropylcarbamoyl)phenyl]-3-nitrobenzamide
SYSTEMATIC NAME: N-[2-(cyclopropylcarbamoyl)phenyl]-3-nitro-4-phenylazanyl-benzamide
MOLECULAR FORMULA: C23H20N4O4
MOLECULAR WEIGHT: 416.4293
SMILES: C1CC1NC(=O)C2=CC=CC=C2NC(=O)C3=CC(=C(C=C3)NC4=CC=CC=C4)[N+](=O)[O-]
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Product OPENEYE NAME: N-cyclopropyl-2-[[4-(o-tolylsulfamoyl)benzoyl]amino]benzamide
CAS Name: N-cyclopropyl-2-[[[4-[(2-methylphenyl)sulfamoyl]phenyl]-oxomethyl]amino]benzamide
IUPAC NAME: N-cyclopropyl-2-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]benzamide
SYSTEMATIC NAME: N-cyclopropyl-2-[[4-[(2-methylphenyl)sulfamoyl]phenyl]carbonylamino]benzamide
MOLECULAR FORMULA: C24H23N3O4S
MOLECULAR WEIGHT: 449.52212
SMILES: CC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)NC4CC4
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Product OPENEYE NAME: 4-[[2-[(1R,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]acetyl]amino]-N-methyl-benzamide
CAS Name: N-methyl-4-[[2-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-oxoethyl]amino]benzamide
IUPAC NAME: N-methyl-4-[[2-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]benzamide
SYSTEMATIC NAME: N-methyl-4-[2-[(1R,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxyethanoylamino]benzamide
MOLECULAR FORMULA: C20H30N2O3
MOLECULAR WEIGHT: 346.4638
SMILES: C[C@H]1CC[C@@H]([C@@H](C1)OCC(=O)NC2=CC=C(C=C2)C(=O)NC)C(C)C
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Product OPENEYE NAME: 4-[[2-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]acetyl]amino]-N-methyl-benzamide
CAS Name: N-methyl-4-[[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-oxoethyl]amino]benzamide
IUPAC NAME: N-methyl-4-[[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]benzamide
SYSTEMATIC NAME: N-methyl-4-[2-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxyethanoylamino]benzamide
MOLECULAR FORMULA: C20H30N2O3
MOLECULAR WEIGHT: 346.4638
SMILES: C[C@H]1CC[C@@H]([C@H](C1)OCC(=O)NC2=CC=C(C=C2)C(=O)NC)C(C)C
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Product OPENEYE NAME: 4-[[2-[(1R,2R,5R)-2-isopropyl-5-methyl-cyclohexoxy]acetyl]amino]-N-methyl-benzamide
CAS Name: N-methyl-4-[[2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-oxoethyl]amino]benzamide
IUPAC NAME: N-methyl-4-[[2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]benzamide
SYSTEMATIC NAME: N-methyl-4-[2-[(1R,2R,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxyethanoylamino]benzamide
MOLECULAR FORMULA: C20H30N2O3
MOLECULAR WEIGHT: 346.4638
SMILES: C[C@@H]1CC[C@@H]([C@@H](C1)OCC(=O)NC2=CC=C(C=C2)C(=O)NC)C(C)C
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Product OPENEYE NAME: 4-[[2-[(1S,2R,5R)-2-isopropyl-5-methyl-cyclohexoxy]acetyl]amino]-N-methyl-benzamide
CAS Name: N-methyl-4-[[2-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-oxoethyl]amino]benzamide
IUPAC NAME: N-methyl-4-[[2-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]benzamide
SYSTEMATIC NAME: N-methyl-4-[2-[(1S,2R,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxyethanoylamino]benzamide
MOLECULAR FORMULA: C20H30N2O3
MOLECULAR WEIGHT: 346.4638
SMILES: C[C@@H]1CC[C@@H]([C@H](C1)OCC(=O)NC2=CC=C(C=C2)C(=O)NC)C(C)C
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Product OPENEYE NAME: 2-[[(2R)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoyl]amino]-N-propyl-benzamide
CAS Name: 2-[[(2R)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-1-oxopropyl]amino]-N-propylbenzamide
IUPAC NAME: 2-[[(2R)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoyl]amino]-N-propylbenzamide
SYSTEMATIC NAME: 2-[[(2R)-2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]propanoyl]amino]-N-propyl-benzamide
MOLECULAR FORMULA: C20H22N4O4S
MOLECULAR WEIGHT: 414.47808
SMILES: CCCNC(=O)C1=CC=CC=C1NC(=O)[C@@H](C)NC2=NS(=O)(=O)C3=CC=CC=C32
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Product OPENEYE NAME: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinecarboxamide
IUPAC NAME: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SYSTEMATIC NAME: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-6-[2,2,2-tris(fluoranyl)ethoxy]pyridine-3-carboxamide
MOLECULAR FORMULA: C18H17F3N2O4
MOLECULAR WEIGHT: 382.33379
SMILES: CN(CC1=CC2=C(C=C1)OCCO2)C(=O)C3=CN=C(C=C3)OCC(F)(F)F
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Product OPENEYE NAME: 4-anilino-N-methoxy-N-methyl-3-nitro-benzamide
CAS Name: 4-anilino-N-methoxy-N-methyl-3-nitrobenzamide
IUPAC NAME: 4-anilino-N-methoxy-N-methyl-3-nitrobenzamide
SYSTEMATIC NAME: N-methoxy-N-methyl-3-nitro-4-phenylazanyl-benzamide
MOLECULAR FORMULA: C15H15N3O4
MOLECULAR WEIGHT: 301.2973
SMILES: CN(C(=O)C1=CC(=C(C=C1)NC2=CC=CC=C2)[N+](=O)[O-])OC
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Product OPENEYE NAME: 2-chloro-N-[2-[methoxy(methyl)amino]-2-oxo-ethyl]benzamide
CAS Name: 2-chloro-N-[2-[methoxy(methyl)amino]-2-oxoethyl]benzamide
IUPAC NAME: 2-chloro-N-[2-[methoxy(methyl)amino]-2-oxoethyl]benzamide
SYSTEMATIC NAME: 2-chloranyl-N-[2-[methoxy(methyl)amino]-2-oxidanylidene-ethyl]benzamide
MOLECULAR FORMULA: C11H13ClN2O3
MOLECULAR WEIGHT: 256.68552
SMILES: CN(C(=O)CNC(=O)C1=CC=CC=C1Cl)OC
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Product OPENEYE NAME: N-[2-[methoxy(methyl)amino]-2-oxo-ethyl]-3,4-dimethyl-benzamide
CAS Name: N-[2-[methoxy(methyl)amino]-2-oxoethyl]-3,4-dimethylbenzamide
IUPAC NAME: N-[2-[methoxy(methyl)amino]-2-oxoethyl]-3,4-dimethylbenzamide
SYSTEMATIC NAME: N-[2-[methoxy(methyl)amino]-2-oxidanylidene-ethyl]-3,4-dimethyl-benzamide
MOLECULAR FORMULA: C13H18N2O3
MOLECULAR WEIGHT: 250.29362
SMILES: CC1=C(C=C(C=C1)C(=O)NCC(=O)N(C)OC)C
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Product OPENEYE NAME: N-methoxy-N-methyl-3-phenyl-2-thioxo-1H-imidazole-4-carboxamide
CAS Name: N-methoxy-N-methyl-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
IUPAC NAME: N-methoxy-N-methyl-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
SYSTEMATIC NAME: N-methoxy-N-methyl-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
MOLECULAR FORMULA: C12H13N3O2S
MOLECULAR WEIGHT: 263.31552
SMILES: CN(C(=O)C1=CNC(=S)N1C2=CC=CC=C2)OC
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Product OPENEYE NAME: 4-[2-[methoxy(methyl)amino]-2-oxo-ethyl]-5-(m-tolyl)-1,2,4-triazole-3-thiolate
CAS Name: 4-[2-[methoxy(methyl)amino]-2-oxoethyl]-5-(3-methylphenyl)-1,2,4-triazole-3-thiolate
IUPAC NAME: 4-[2-[methoxy(methyl)amino]-2-oxoethyl]-5-(3-methylphenyl)-1,2,4-triazole-3-thiolate
SYSTEMATIC NAME: 4-[2-[methoxy(methyl)amino]-2-oxidanylidene-ethyl]-5-(3-methylphenyl)-1,2,4-triazole-3-thiolate
MOLECULAR FORMULA: C13H15N4O2S-
MOLECULAR WEIGHT: 291.3488
SMILES: CC1=CC=CC(=C1)C2=NN=C(N2CC(=O)N(C)OC)[S-]
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Product OPENEYE NAME: N-methoxy-N-methyl-2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide
CAS Name: N-methoxy-N-methyl-2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide
IUPAC NAME: N-methoxy-N-methyl-2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide
SYSTEMATIC NAME: N-methoxy-N-methyl-2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanamide
MOLECULAR FORMULA: C13H16N4O2S
MOLECULAR WEIGHT: 292.35674
SMILES: CC1=CC=CC(=C1)C2=NNC(=S)N2CC(=O)N(C)OC
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Product OPENEYE NAME: 1-(4-chlorophenyl)-N-methoxy-N,5-dimethyl-pyrazole-4-carboxamide
CAS Name: 1-(4-chlorophenyl)-N-methoxy-N,5-dimethyl-4-pyrazolecarboxamide
IUPAC NAME: 1-(4-chlorophenyl)-N-methoxy-N,5-dimethylpyrazole-4-carboxamide
SYSTEMATIC NAME: 1-(4-chlorophenyl)-N-methoxy-N,5-dimethyl-pyrazole-4-carboxamide
MOLECULAR FORMULA: C13H14ClN3O2
MOLECULAR WEIGHT: 279.72216
SMILES: CC1=C(C=NN1C2=CC=C(C=C2)Cl)C(=O)N(C)OC
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Product OPENEYE NAME: 2-[[(E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enoyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]ethyl-dimethyl-ammonium
CAS Name: 2-[[(E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-oxoprop-2-enyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]ethyl-dimethylammonium
IUPAC NAME: 2-[[(E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enoyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]ethyl-dimethylazanium
SYSTEMATIC NAME: 2-[[(E)-3-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enoyl]-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]amino]ethyl-dimethyl-azanium
MOLECULAR FORMULA: C25H28ClN4O4+
MOLECULAR WEIGHT: 483.96722
SMILES: C[NH+](C)CCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)/C=C/C3=CC4=C(C(=C3)Cl)OCCCO4
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Product OPENEYE NAME: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[2-(dimethylamino)ethyl]-N-[(4-oxo-1H-quinazolin-2-yl)methyl]prop-2-enamide
CAS Name: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[2-(dimethylamino)ethyl]-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-2-propenamide
IUPAC NAME: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[2-(dimethylamino)ethyl]-N-[(4-oxo-1H-quinazolin-2-yl)methyl]prop-2-enamide
SYSTEMATIC NAME: (E)-3-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[2-(dimethylamino)ethyl]-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]prop-2-enamide
MOLECULAR FORMULA: C25H27ClN4O4
MOLECULAR WEIGHT: 482.95928
SMILES: CN(C)CCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)/C=C/C3=CC4=C(C(=C3)Cl)OCCCO4
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