Tuesday, May 28, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 4-anilino-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-nitro-benzamide
CAS Name: 4-anilino-N-[[2-(1-imidazolylmethyl)phenyl]methyl]-3-nitrobenzamide
IUPAC NAME: 4-anilino-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-nitrobenzamide
SYSTEMATIC NAME: N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-nitro-4-phenylazanyl-benzamide
MOLECULAR FORMULA: C24H21N5O3
MOLECULAR WEIGHT: 427.45524
SMILES: C1=CC=C(C=C1)NC2=C(C=C(C=C2)C(=O)NCC3=CC=CC=C3CN4C=CN=C4)[N+](=O)[O-]
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Product OPENEYE NAME: N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-4-(2H-tetrazol-5-yl)benzenecarboximidate
CAS Name: N-[[2-(1-imidazolylmethyl)phenyl]methyl]-4-(2H-tetrazol-5-yl)benzenecarboximidate
IUPAC NAME: N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-4-(2H-tetrazol-5-yl)benzenecarboximidate
SYSTEMATIC NAME: N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-4-(2H-1,2,3,4-tetrazol-5-yl)benzenecarboximidate
MOLECULAR FORMULA: C19H16N7O-
MOLECULAR WEIGHT: 358.37664
SMILES: C1=CC=C(C(=C1)CN=C(C2=CC=C(C=C2)C3=NNN=N3)[O-])CN4C=CN=C4
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Product OPENEYE NAME: N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-4-(2H-tetrazol-5-yl)benzamide
CAS Name: N-[[2-(1-imidazolylmethyl)phenyl]methyl]-4-(2H-tetrazol-5-yl)benzamide
IUPAC NAME: N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-4-(2H-tetrazol-5-yl)benzamide
SYSTEMATIC NAME: N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-4-(2H-1,2,3,4-tetrazol-5-yl)benzamide
MOLECULAR FORMULA: C19H17N7O
MOLECULAR WEIGHT: 359.38458
SMILES: C1=CC=C(C(=C1)CNC(=O)C2=CC=C(C=C2)C3=NNN=N3)CN4C=CN=C4
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Product OPENEYE NAME: 4-[2-[[2-(imidazol-1-ylmethyl)phenyl]methylamino]-2-oxo-ethyl]-5-(2-thienyl)-1,2,4-triazole-3-thiolate
CAS Name: 4-[2-[[2-(1-imidazolylmethyl)phenyl]methylamino]-2-oxoethyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate
IUPAC NAME: 4-[2-[[2-(imidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate
SYSTEMATIC NAME: 4-[2-[[2-(imidazol-1-ylmethyl)phenyl]methylamino]-2-oxidanylidene-ethyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate
MOLECULAR FORMULA: C19H17N6OS2-
MOLECULAR WEIGHT: 409.50788
SMILES: C1=CC=C(C(=C1)CNC(=O)CN2C(=NN=C2[S-])C3=CC=CS3)CN4C=CN=C4
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Product OPENEYE NAME: N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide
CAS Name: N-[[2-(1-imidazolylmethyl)phenyl]methyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide
IUPAC NAME: N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide
SYSTEMATIC NAME: N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanamide
MOLECULAR FORMULA: C19H18N6OS2
MOLECULAR WEIGHT: 410.51582
SMILES: C1=CC=C(C(=C1)CNC(=O)CN2C(=NNC2=S)C3=CC=CS3)CN4C=CN=C4
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Product OPENEYE NAME: N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CAS Name: N-[[2-(1-imidazolylmethyl)phenyl]methyl]-2-oxo-2-(1,3,5-trimethyl-4-pyrazolyl)acetamide
IUPAC NAME: N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SYSTEMATIC NAME: N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-oxidanylidene-2-(1,3,5-trimethylpyrazol-4-yl)ethanamide
MOLECULAR FORMULA: C19H21N5O2
MOLECULAR WEIGHT: 351.40234
SMILES: CC1=C(C(=NN1C)C)C(=O)C(=O)NCC2=CC=CC=C2CN3C=CN=C3
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Product OPENEYE NAME: N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-6-isopropyl-1,3-dimethyl-pyrazolo[3,4-b]pyridine-4-carboxamide
CAS Name: N-[[2-(1-imidazolylmethyl)phenyl]methyl]-1,3-dimethyl-6-propan-2-yl-4-pyrazolo[3,4-b]pyridinecarboxamide
IUPAC NAME: N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
SYSTEMATIC NAME: N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-1,3-dimethyl-6-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide
MOLECULAR FORMULA: C23H26N6O
MOLECULAR WEIGHT: 402.49214
SMILES: CC1=NN(C2=C1C(=CC(=N2)C(C)C)C(=O)NCC3=CC=CC=C3CN4C=CN=C4)C
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Product OPENEYE NAME: 1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-2-phenoxy-ethanone
CAS Name: 1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-2-phenoxyethanone
IUPAC NAME: 1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-2-phenoxyethanone
SYSTEMATIC NAME: 1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-2-phenoxy-ethanone
MOLECULAR FORMULA: C16H16N2O2
MOLECULAR WEIGHT: 268.31044
SMILES: C1CC2=C(C=CC=N2)N(C1)C(=O)COC3=CC=CC=C3
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Product OPENEYE NAME: N-cyclopropyl-4-[[2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]acetyl]amino]benzamide
CAS Name: N-cyclopropyl-4-[[2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-1-oxoethyl]amino]benzamide
IUPAC NAME: N-cyclopropyl-4-[[2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]acetyl]amino]benzamide
SYSTEMATIC NAME: 4-[2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]ethanoylamino]-N-cyclopropyl-benzamide
MOLECULAR FORMULA: C19H18N4O4S
MOLECULAR WEIGHT: 398.43562
SMILES: C1CC1NC(=O)C2=CC=C(C=C2)NC(=O)CNC3=NS(=O)(=O)C4=CC=CC=C43
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Product OPENEYE NAME: N-cyclopropyl-4-[[2-(4-pyridylsulfanyl)acetyl]amino]benzamide
CAS Name: N-cyclopropyl-4-[[1-oxo-2-(pyridin-4-ylthio)ethyl]amino]benzamide
IUPAC NAME: N-cyclopropyl-4-[(2-pyridin-4-ylsulfanylacetyl)amino]benzamide
SYSTEMATIC NAME: N-cyclopropyl-4-(2-pyridin-4-ylsulfanylethanoylamino)benzamide
MOLECULAR FORMULA: C17H17N3O2S
MOLECULAR WEIGHT: 327.40078
SMILES: C1CC1NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=CC=NC=C3
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Product OPENEYE NAME: 2-benzoyl-N-[4-(cyclopropylcarbamoyl)phenyl]benzamide
CAS Name: 2-benzoyl-N-[4-[(cyclopropylamino)-oxomethyl]phenyl]benzamide
IUPAC NAME: 2-benzoyl-N-[4-(cyclopropylcarbamoyl)phenyl]benzamide
SYSTEMATIC NAME: N-[4-(cyclopropylcarbamoyl)phenyl]-2-(phenylcarbonyl)benzamide
MOLECULAR FORMULA: C24H20N2O3
MOLECULAR WEIGHT: 384.4272
SMILES: C1CC1NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)C4=CC=CC=C4
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Product OPENEYE NAME: 5-bromo-N-[2-[4-(cyclopropylcarbamoyl)anilino]-2-oxo-ethyl]furan-2-carboxamide
CAS Name: 5-bromo-N-[2-[4-[(cyclopropylamino)-oxomethyl]anilino]-2-oxoethyl]-2-furancarboxamide
IUPAC NAME: 5-bromo-N-[2-[4-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]furan-2-carboxamide
SYSTEMATIC NAME: 5-bromanyl-N-[2-[[4-(cyclopropylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]furan-2-carboxamide
MOLECULAR FORMULA: C17H16BrN3O4
MOLECULAR WEIGHT: 406.23064
SMILES: C1CC1NC(=O)C2=CC=C(C=C2)NC(=O)CNC(=O)C3=CC=C(O3)Br
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Product OPENEYE NAME: N-[2-[4-(cyclopropylcarbamoyl)anilino]-2-oxo-ethyl]-2-methoxy-benzamide
CAS Name: N-[2-[4-[(cyclopropylamino)-oxomethyl]anilino]-2-oxoethyl]-2-methoxybenzamide
IUPAC NAME: N-[2-[4-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-2-methoxybenzamide
SYSTEMATIC NAME: N-[2-[[4-(cyclopropylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]-2-methoxy-benzamide
MOLECULAR FORMULA: C20H21N3O4
MOLECULAR WEIGHT: 367.39844
SMILES: COC1=CC=CC=C1C(=O)NCC(=O)NC2=CC=C(C=C2)C(=O)NC3CC3
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Product OPENEYE NAME: N-cyclopropyl-4-[3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoylamino]benzamide
CAS Name: N-cyclopropyl-4-[[3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-1-oxopropyl]amino]benzamide
IUPAC NAME: N-cyclopropyl-4-[3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoylamino]benzamide
SYSTEMATIC NAME: 4-[3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]propanoylamino]-N-cyclopropyl-benzamide
MOLECULAR FORMULA: C20H20N4O4S
MOLECULAR WEIGHT: 412.4622
SMILES: C1CC1NC(=O)C2=CC=C(C=C2)NC(=O)CCNC3=NS(=O)(=O)C4=CC=CC=C43
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Product OPENEYE NAME: 1-(3-chlorophenyl)-N-[4-(cyclopropylcarbamoyl)phenyl]-5-(2-furyl)pyrazole-3-carboxamide
CAS Name: 1-(3-chlorophenyl)-N-[4-[(cyclopropylamino)-oxomethyl]phenyl]-5-(2-furanyl)-3-pyrazolecarboxamide
IUPAC NAME: 1-(3-chlorophenyl)-N-[4-(cyclopropylcarbamoyl)phenyl]-5-(furan-2-yl)pyrazole-3-carboxamide
SYSTEMATIC NAME: 1-(3-chlorophenyl)-N-[4-(cyclopropylcarbamoyl)phenyl]-5-(furan-2-yl)pyrazole-3-carboxamide
MOLECULAR FORMULA: C24H19ClN4O3
MOLECULAR WEIGHT: 446.88566
SMILES: C1CC1NC(=O)C2=CC=C(C=C2)NC(=O)C3=NN(C(=C3)C4=CC=CO4)C5=CC(=CC=C5)Cl
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Product OPENEYE NAME: 2-[2-methyl-4-(2-thienyl)thiazol-5-yl]-N-[(1-phenylcyclopropyl)methyl]acetamide
CAS Name: 2-(2-methyl-4-thiophen-2-yl-5-thiazolyl)-N-[(1-phenylcyclopropyl)methyl]acetamide
IUPAC NAME: 2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide
SYSTEMATIC NAME: 2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[(1-phenylcyclopropyl)methyl]ethanamide
MOLECULAR FORMULA: C20H20N2OS2
MOLECULAR WEIGHT: 368.5156
SMILES: CC1=NC(=C(S1)CC(=O)NCC2(CC2)C3=CC=CC=C3)C4=CC=CS4
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Product OPENEYE NAME: (E)-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-propyl]-3-(3-fluoro-4-methoxy-phenyl)prop-2-enamide
CAS Name: (E)-N-[2-[(2S,6R)-2,6-dimethyl-4-morpholinyl]-2-methylpropyl]-3-(3-fluoro-4-methoxyphenyl)-2-propenamide
IUPAC NAME: (E)-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide
SYSTEMATIC NAME: (E)-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-propyl]-3-(3-fluoranyl-4-methoxy-phenyl)prop-2-enamide
MOLECULAR FORMULA: C20H29FN2O3
MOLECULAR WEIGHT: 364.454263
SMILES: C[C@@H]1CN(C[C@@H](O1)C)C(C)(C)CNC(=O)/C=C/C2=CC(=C(C=C2)OC)F
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Product OPENEYE NAME: (E)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-propyl]-3-(3-fluoro-4-methoxy-phenyl)prop-2-enamide
CAS Name: (E)-N-[2-[(2S,6S)-2,6-dimethyl-4-morpholinyl]-2-methylpropyl]-3-(3-fluoro-4-methoxyphenyl)-2-propenamide
IUPAC NAME: (E)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide
SYSTEMATIC NAME: (E)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-propyl]-3-(3-fluoranyl-4-methoxy-phenyl)prop-2-enamide
MOLECULAR FORMULA: C20H29FN2O3
MOLECULAR WEIGHT: 364.454263
SMILES: C[C@H]1CN(C[C@@H](O1)C)C(C)(C)CNC(=O)/C=C/C2=CC(=C(C=C2)OC)F
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Product OPENEYE NAME: (E)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-propyl]-3-(3-fluoro-4-methoxy-phenyl)prop-2-enamide
CAS Name: (E)-N-[2-[(2R,6R)-2,6-dimethyl-4-morpholinyl]-2-methylpropyl]-3-(3-fluoro-4-methoxyphenyl)-2-propenamide
IUPAC NAME: (E)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide
SYSTEMATIC NAME: (E)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-propyl]-3-(3-fluoranyl-4-methoxy-phenyl)prop-2-enamide
MOLECULAR FORMULA: C20H29FN2O3
MOLECULAR WEIGHT: 364.454263
SMILES: C[C@@H]1CN(C[C@H](O1)C)C(C)(C)CNC(=O)/C=C/C2=CC(=C(C=C2)OC)F
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Product OPENEYE NAME: (E)-3-(3,5-dimethoxyphenyl)-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-propyl]prop-2-enamide
CAS Name: (E)-3-(3,5-dimethoxyphenyl)-N-[2-[(2R,6S)-2,6-dimethyl-4-morpholinyl]-2-methylpropyl]-2-propenamide
IUPAC NAME: (E)-3-(3,5-dimethoxyphenyl)-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]prop-2-enamide
SYSTEMATIC NAME: (E)-3-(3,5-dimethoxyphenyl)-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-propyl]prop-2-enamide
MOLECULAR FORMULA: C21H32N2O4
MOLECULAR WEIGHT: 376.48978
SMILES: C[C@@H]1CN(C[C@@H](O1)C)C(C)(C)CNC(=O)/C=C/C2=CC(=CC(=C2)OC)OC
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Product OPENEYE NAME: (E)-3-(3,5-dimethoxyphenyl)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-propyl]prop-2-enamide
CAS Name: (E)-3-(3,5-dimethoxyphenyl)-N-[2-[(2S,6S)-2,6-dimethyl-4-morpholinyl]-2-methylpropyl]-2-propenamide
IUPAC NAME: (E)-3-(3,5-dimethoxyphenyl)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]prop-2-enamide
SYSTEMATIC NAME: (E)-3-(3,5-dimethoxyphenyl)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-propyl]prop-2-enamide
MOLECULAR FORMULA: C21H32N2O4
MOLECULAR WEIGHT: 376.48978
SMILES: C[C@H]1CN(C[C@@H](O1)C)C(C)(C)CNC(=O)/C=C/C2=CC(=CC(=C2)OC)OC
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