Monday, February 25, 2013

All Chemical Compounds Information




Product OPENEYE NAME: benzhydryl-[2-(2,4-dimethoxyanilino)-2-oxo-ethyl]-methyl-ammonium
CAS Name: [2-(2,4-dimethoxyanilino)-2-oxoethyl]-(diphenylmethyl)-methylammonium
IUPAC NAME: benzhydryl-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-methylazanium
SYSTEMATIC NAME: [2-[(2,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]-(diphenylmethyl)-methyl-azanium
MOLECULAR FORMULA: C24H27N2O3+
MOLECULAR WEIGHT: 391.48278
SMILES: C[NH+](CC(=O)NC1=C(C=C(C=C1)OC)OC)C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: 2-[benzhydryl(methyl)amino]-N-(2,4-dimethoxyphenyl)acetamide
CAS Name: N-(2,4-dimethoxyphenyl)-2-[(diphenylmethyl)-methylamino]acetamide
IUPAC NAME: 2-[benzhydryl(methyl)amino]-N-(2,4-dimethoxyphenyl)acetamide
SYSTEMATIC NAME: N-(2,4-dimethoxyphenyl)-2-[(diphenylmethyl)-methyl-amino]ethanamide
MOLECULAR FORMULA: C24H26N2O3
MOLECULAR WEIGHT: 390.47484
SMILES: CN(CC(=O)NC1=C(C=C(C=C1)OC)OC)C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: methyl 1-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylacetyl]piperidine-4-carboxylate
CAS Name: 1-[2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C20H23N3O3S
MOLECULAR WEIGHT: 385.47992
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)N3CCC(CC3)C(=O)OC
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Product OPENEYE NAME: 2-(4-acetyl-2-methoxy-phenoxy)-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CAS Name: 2-(4-acetyl-2-methoxyphenoxy)-N-[oxo-(2,2,2-trifluoroethylamino)methyl]acetamide
IUPAC NAME: 2-(4-acetyl-2-methoxyphenoxy)-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
SYSTEMATIC NAME: 2-(4-ethanoyl-2-methoxy-phenoxy)-N-[2,2,2-tris(fluoranyl)ethylcarbamoyl]ethanamide
MOLECULAR FORMULA: C14H15F3N2O5
MOLECULAR WEIGHT: 348.27451
SMILES: CC(=O)C1=CC(=C(C=C1)OCC(=O)NC(=O)NCC(F)(F)F)OC
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Product OPENEYE NAME: [(1R)-2-(cyclohexylcarbamoylamino)-1-methyl-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [(2R)-1-[[(cyclohexylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [(2R)-1-(cyclohexylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C21H24N2O6
MOLECULAR WEIGHT: 400.42506
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)O[C@H](C)C(=O)NC(=O)NC3CCCCC3
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Product OPENEYE NAME: 1-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanone
CAS Name: 1-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]ethanone
IUPAC NAME: 1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylethanone
SYSTEMATIC NAME: 1-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanone
MOLECULAR FORMULA: C22H25N3O2S
MOLECULAR WEIGHT: 395.5178
SMILES: CC1=CC(=C(N1CCOC)C)C(=O)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3
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Product OPENEYE NAME: benzhydryl-[2-(3-fluoroanilino)-2-oxo-ethyl]-methyl-ammonium
CAS Name: (diphenylmethyl)-[2-(3-fluoroanilino)-2-oxoethyl]-methylammonium
IUPAC NAME: benzhydryl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
SYSTEMATIC NAME: (diphenylmethyl)-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium
MOLECULAR FORMULA: C22H22FN2O+
MOLECULAR WEIGHT: 349.421283
SMILES: C[NH+](CC(=O)NC1=CC(=CC=C1)F)C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: 2-[benzhydryl(methyl)amino]-N-(3-fluorophenyl)acetamide
CAS Name: 2-[(diphenylmethyl)-methylamino]-N-(3-fluorophenyl)acetamide
IUPAC NAME: 2-[benzhydryl(methyl)amino]-N-(3-fluorophenyl)acetamide
SYSTEMATIC NAME: 2-[(diphenylmethyl)-methyl-amino]-N-(3-fluorophenyl)ethanamide
MOLECULAR FORMULA: C22H21FN2O
MOLECULAR WEIGHT: 348.413343
SMILES: CN(CC(=O)NC1=CC(=CC=C1)F)C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: 2-(4-acetyl-2-methoxy-phenoxy)-N-(2-methylsulfonylphenyl)acetamide
CAS Name: 2-(4-acetyl-2-methoxyphenoxy)-N-(2-methylsulfonylphenyl)acetamide
IUPAC NAME: 2-(4-acetyl-2-methoxyphenoxy)-N-(2-methylsulfonylphenyl)acetamide
SYSTEMATIC NAME: 2-(4-ethanoyl-2-methoxy-phenoxy)-N-(2-methylsulfonylphenyl)ethanamide
MOLECULAR FORMULA: C18H19NO6S
MOLECULAR WEIGHT: 377.41156
SMILES: CC(=O)C1=CC(=C(C=C1)OCC(=O)NC2=CC=CC=C2S(=O)(=O)C)OC
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Product OPENEYE NAME: (2R)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-(p-tolyl)propanamide
CAS Name: (2R)-N-(4-methylphenyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]propanamide
IUPAC NAME: (2R)-N-(4-methylphenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropanamide
SYSTEMATIC NAME: (2R)-N-(4-methylphenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
MOLECULAR FORMULA: C21H21N3OS
MOLECULAR WEIGHT: 363.47594
SMILES: CC1=CC=C(C=C1)NC(=O)[C@@H](C)SC2=NC(=CC(=N2)C)C3=CC=CC=C3
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Product OPENEYE NAME: (2S)-2-(4-acetyl-2-methoxy-phenoxy)-N-(1-cyanocyclohexyl)-N-methyl-propanamide
CAS Name: (2S)-2-(4-acetyl-2-methoxyphenoxy)-N-(1-cyanocyclohexyl)-N-methylpropanamide
IUPAC NAME: (2S)-2-(4-acetyl-2-methoxyphenoxy)-N-(1-cyanocyclohexyl)-N-methylpropanamide
SYSTEMATIC NAME: (2S)-N-(1-cyanocyclohexyl)-2-(4-ethanoyl-2-methoxy-phenoxy)-N-methyl-propanamide
MOLECULAR FORMULA: C20H26N2O4
MOLECULAR WEIGHT: 358.43144
SMILES: C[C@@H](C(=O)N(C)C1(CCCCC1)C#N)OC2=C(C=C(C=C2)C(=O)C)OC
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Product OPENEYE NAME: (2S)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-(p-tolyl)propanamide
CAS Name: (2S)-N-(4-methylphenyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]propanamide
IUPAC NAME: (2S)-N-(4-methylphenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropanamide
SYSTEMATIC NAME: (2S)-N-(4-methylphenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
MOLECULAR FORMULA: C21H21N3OS
MOLECULAR WEIGHT: 363.47594
SMILES: CC1=CC=C(C=C1)NC(=O)[C@H](C)SC2=NC(=CC(=N2)C)C3=CC=CC=C3
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Product OPENEYE NAME: benzhydryl-[2-(2-fluoro-4-methyl-anilino)-2-oxo-ethyl]-methyl-ammonium
CAS Name: (diphenylmethyl)-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methylammonium
IUPAC NAME: benzhydryl-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methylazanium
SYSTEMATIC NAME: (diphenylmethyl)-[2-[(2-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium
MOLECULAR FORMULA: C23H24FN2O+
MOLECULAR WEIGHT: 363.447863
SMILES: CC1=CC(=C(C=C1)NC(=O)C[NH+](C)C(C2=CC=CC=C2)C3=CC=CC=C3)F
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Product OPENEYE NAME: 2-[benzhydryl(methyl)amino]-N-(2-fluoro-4-methyl-phenyl)acetamide
CAS Name: 2-[(diphenylmethyl)-methylamino]-N-(2-fluoro-4-methylphenyl)acetamide
IUPAC NAME: 2-[benzhydryl(methyl)amino]-N-(2-fluoro-4-methylphenyl)acetamide
SYSTEMATIC NAME: 2-[(diphenylmethyl)-methyl-amino]-N-(2-fluoranyl-4-methyl-phenyl)ethanamide
MOLECULAR FORMULA: C23H23FN2O
MOLECULAR WEIGHT: 362.439923
SMILES: CC1=CC(=C(C=C1)NC(=O)CN(C)C(C2=CC=CC=C2)C3=CC=CC=C3)F
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Product OPENEYE NAME: 1-[2,5-dimethyl-1-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrrol-3-yl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanone
CAS Name: 1-[2,5-dimethyl-1-[[(2S)-2-oxolanyl]methyl]-3-pyrrolyl]-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]ethanone
IUPAC NAME: 1-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylethanone
SYSTEMATIC NAME: 1-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanone
MOLECULAR FORMULA: C24H27N3O2S
MOLECULAR WEIGHT: 421.55508
SMILES: CC1=CC(=C(N1C[C@@H]2CCCO2)C)C(=O)CSC3=NC(=CC(=N3)C)C4=CC=CC=C4
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Product OPENEYE NAME: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester
IUPAC NAME: (6,7-dimethyl-2-oxochromen-4-yl)methyl 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C23H18O6
MOLECULAR WEIGHT: 390.38542
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC3=CC(=O)OC4=CC(=C(C=C34)C)C
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Product OPENEYE NAME: (2R)-2-(4-acetyl-2-methoxy-phenoxy)-N-(1-cyanocyclohexyl)-N-methyl-propanamide
CAS Name: (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(1-cyanocyclohexyl)-N-methylpropanamide
IUPAC NAME: (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(1-cyanocyclohexyl)-N-methylpropanamide
SYSTEMATIC NAME: (2R)-N-(1-cyanocyclohexyl)-2-(4-ethanoyl-2-methoxy-phenoxy)-N-methyl-propanamide
MOLECULAR FORMULA: C20H26N2O4
MOLECULAR WEIGHT: 358.43144
SMILES: C[C@H](C(=O)N(C)C1(CCCCC1)C#N)OC2=C(C=C(C=C2)C(=O)C)OC
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Product OPENEYE NAME: benzhydryl-[2-[4-(difluoromethoxy)anilino]-2-oxo-ethyl]-methyl-ammonium
CAS Name: [2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-(diphenylmethyl)-methylammonium
IUPAC NAME: benzhydryl-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-methylazanium
SYSTEMATIC NAME: [2-[[4-[bis(fluoranyl)methoxy]phenyl]amino]-2-oxidanylidene-ethyl]-(diphenylmethyl)-methyl-azanium
MOLECULAR FORMULA: C23H23F2N2O2+
MOLECULAR WEIGHT: 397.437726
SMILES: C[NH+](CC(=O)NC1=CC=C(C=C1)OC(F)F)C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: 2-[benzhydryl(methyl)amino]-N-[4-(difluoromethoxy)phenyl]acetamide
CAS Name: N-[4-(difluoromethoxy)phenyl]-2-[(diphenylmethyl)-methylamino]acetamide
IUPAC NAME: 2-[benzhydryl(methyl)amino]-N-[4-(difluoromethoxy)phenyl]acetamide
SYSTEMATIC NAME: N-[4-[bis(fluoranyl)methoxy]phenyl]-2-[(diphenylmethyl)-methyl-amino]ethanamide
MOLECULAR FORMULA: C23H22F2N2O2
MOLECULAR WEIGHT: 396.429786
SMILES: CN(CC(=O)NC1=CC=C(C=C1)OC(F)F)C(C2=CC=CC=C2)C3=CC=CC=C3
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