Monday, February 25, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 2-[benzhydryl(methyl)amino]-N-(2,4-difluorophenyl)acetamide
CAS Name: N-(2,4-difluorophenyl)-2-[(diphenylmethyl)-methylamino]acetamide
IUPAC NAME: 2-[benzhydryl(methyl)amino]-N-(2,4-difluorophenyl)acetamide
SYSTEMATIC NAME: N-[2,4-bis(fluoranyl)phenyl]-2-[(diphenylmethyl)-methyl-amino]ethanamide
MOLECULAR FORMULA: C22H20F2N2O
MOLECULAR WEIGHT: 366.403806
SMILES: CN(CC(=O)NC1=C(C=C(C=C1)F)F)C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: [(1S)-1-methyl-2-[2-[(1S)-1-methylpropyl]anilino]-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [(2S)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [(2S)-1-[[2-[(2S)-butan-2-yl]phenyl]amino]-1-oxidanylidene-propan-2-yl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C24H25NO5
MOLECULAR WEIGHT: 407.459
SMILES: CC[C@H](C)C1=CC=CC=C1NC(=O)[C@H](C)OC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)C
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Product OPENEYE NAME: benzhydryl-[2-(2-chloro-4-fluoro-anilino)-2-oxo-ethyl]-methyl-ammonium
CAS Name: [2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-(diphenylmethyl)-methylammonium
IUPAC NAME: benzhydryl-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-methylazanium
SYSTEMATIC NAME: [2-[(2-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]-(diphenylmethyl)-methyl-azanium
MOLECULAR FORMULA: C22H21ClFN2O+
MOLECULAR WEIGHT: 383.866343
SMILES: C[NH+](CC(=O)NC1=C(C=C(C=C1)F)Cl)C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: 2-[benzhydryl(methyl)amino]-N-(2-chloro-4-fluoro-phenyl)acetamide
CAS Name: N-(2-chloro-4-fluorophenyl)-2-[(diphenylmethyl)-methylamino]acetamide
IUPAC NAME: 2-[benzhydryl(methyl)amino]-N-(2-chloro-4-fluorophenyl)acetamide
SYSTEMATIC NAME: N-(2-chloranyl-4-fluoranyl-phenyl)-2-[(diphenylmethyl)-methyl-amino]ethanamide
MOLECULAR FORMULA: C22H20ClFN2O
MOLECULAR WEIGHT: 382.858403
SMILES: CN(CC(=O)NC1=C(C=C(C=C1)F)Cl)C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: N-(3-acetamidophenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-(3-acetamidophenyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide
IUPAC NAME: N-(3-acetamidophenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-(3-acetamidophenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C21H20N4O2S
MOLECULAR WEIGHT: 392.4741
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NC3=CC=CC(=C3)NC(=O)C
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Product OPENEYE NAME: [(1S)-2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [(2S)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C21H16N2O5
MOLECULAR WEIGHT: 376.36214
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)O[C@@H](C)C(=O)NC3=CC=C(C=C3)C#N
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Product OPENEYE NAME: benzhydryl-[2-(2,6-difluoroanilino)-2-oxo-ethyl]-methyl-ammonium
CAS Name: [2-(2,6-difluoroanilino)-2-oxoethyl]-(diphenylmethyl)-methylammonium
IUPAC NAME: benzhydryl-[2-(2,6-difluoroanilino)-2-oxoethyl]-methylazanium
SYSTEMATIC NAME: [2-[[2,6-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl]-(diphenylmethyl)-methyl-azanium
MOLECULAR FORMULA: C22H21F2N2O+
MOLECULAR WEIGHT: 367.411746
SMILES: C[NH+](CC(=O)NC1=C(C=CC=C1F)F)C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: 2-[benzhydryl(methyl)amino]-N-(2,6-difluorophenyl)acetamide
CAS Name: N-(2,6-difluorophenyl)-2-[(diphenylmethyl)-methylamino]acetamide
IUPAC NAME: 2-[benzhydryl(methyl)amino]-N-(2,6-difluorophenyl)acetamide
SYSTEMATIC NAME: N-[2,6-bis(fluoranyl)phenyl]-2-[(diphenylmethyl)-methyl-amino]ethanamide
MOLECULAR FORMULA: C22H20F2N2O
MOLECULAR WEIGHT: 366.403806
SMILES: CN(CC(=O)NC1=C(C=CC=C1F)F)C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: [(1R)-2-(4-cyanoanilino)-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-(4-cyanoanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C21H16N2O5
MOLECULAR WEIGHT: 376.36214
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)O[C@H](C)C(=O)NC3=CC=C(C=C3)C#N
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Product OPENEYE NAME: N-(2-methyl-6-nitro-phenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-(2-methyl-6-nitrophenyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide
IUPAC NAME: N-(2-methyl-6-nitrophenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-(2-methyl-6-nitro-phenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C20H18N4O3S
MOLECULAR WEIGHT: 394.44692
SMILES: CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3
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Product OPENEYE NAME: 2-(4-bromo-2-fluoro-phenoxy)-N-(phenylcarbamoyl)acetamide
CAS Name: N-[anilino(oxo)methyl]-2-(4-bromo-2-fluorophenoxy)acetamide
IUPAC NAME: 2-(4-bromo-2-fluorophenoxy)-N-(phenylcarbamoyl)acetamide
SYSTEMATIC NAME: 2-(4-bromanyl-2-fluoranyl-phenoxy)-N-(phenylcarbamoyl)ethanamide
MOLECULAR FORMULA: C15H12BrFN2O3
MOLECULAR WEIGHT: 367.169783
SMILES: C1=CC=C(C=C1)NC(=O)NC(=O)COC2=C(C=C(C=C2)Br)F
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Product OPENEYE NAME: benzhydryl-[2-(2-ethoxyanilino)-2-oxo-ethyl]-methyl-ammonium
CAS Name: (diphenylmethyl)-[2-(2-ethoxyanilino)-2-oxoethyl]-methylammonium
IUPAC NAME: benzhydryl-[2-(2-ethoxyanilino)-2-oxoethyl]-methylazanium
SYSTEMATIC NAME: (diphenylmethyl)-[2-[(2-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium
MOLECULAR FORMULA: C24H27N2O2+
MOLECULAR WEIGHT: 375.48338
SMILES: CCOC1=CC=CC=C1NC(=O)C[NH+](C)C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: 2-[benzhydryl(methyl)amino]-N-(2-ethoxyphenyl)acetamide
CAS Name: 2-[(diphenylmethyl)-methylamino]-N-(2-ethoxyphenyl)acetamide
IUPAC NAME: 2-[benzhydryl(methyl)amino]-N-(2-ethoxyphenyl)acetamide
SYSTEMATIC NAME: 2-[(diphenylmethyl)-methyl-amino]-N-(2-ethoxyphenyl)ethanamide
MOLECULAR FORMULA: C24H26N2O2
MOLECULAR WEIGHT: 374.47544
SMILES: CCOC1=CC=CC=C1NC(=O)CN(C)C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: [(1S)-2-(cyclohexylamino)-1-methyl-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [(2S)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C20H23NO5
MOLECULAR WEIGHT: 357.40032
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)O[C@@H](C)C(=O)NC3CCCCC3
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Product OPENEYE NAME: N-(4-chloro-2-methyl-phenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-(4-chloro-2-methylphenyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide
IUPAC NAME: N-(4-chloro-2-methylphenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-(4-chloranyl-2-methyl-phenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C20H18ClN3OS
MOLECULAR WEIGHT: 383.89442
SMILES: CC1=C(C=CC(=C1)Cl)NC(=O)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3
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Product OPENEYE NAME: benzhydryl-[2-(3-cyanoanilino)-2-oxo-ethyl]-methyl-ammonium
CAS Name: [2-(3-cyanoanilino)-2-oxoethyl]-(diphenylmethyl)-methylammonium
IUPAC NAME: benzhydryl-[2-(3-cyanoanilino)-2-oxoethyl]-methylazanium
SYSTEMATIC NAME: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]-(diphenylmethyl)-methyl-azanium
MOLECULAR FORMULA: C23H22N3O+
MOLECULAR WEIGHT: 356.44028
SMILES: C[NH+](CC(=O)NC1=CC=CC(=C1)C#N)C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: 2-[benzhydryl(methyl)amino]-N-(3-cyanophenyl)acetamide
CAS Name: N-(3-cyanophenyl)-2-[(diphenylmethyl)-methylamino]acetamide
IUPAC NAME: 2-[benzhydryl(methyl)amino]-N-(3-cyanophenyl)acetamide
SYSTEMATIC NAME: N-(3-cyanophenyl)-2-[(diphenylmethyl)-methyl-amino]ethanamide
MOLECULAR FORMULA: C23H21N3O
MOLECULAR WEIGHT: 355.43234
SMILES: CN(CC(=O)NC1=CC=CC(=C1)C#N)C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: [(1R)-2-(cyclohexylamino)-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)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [(2R)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C20H23NO5
MOLECULAR WEIGHT: 357.40032
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)O[C@H](C)C(=O)NC3CCCCC3
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Product OPENEYE NAME: [2-[[(1S)-1-benzyl-2-oxo-propyl]amino]-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] ester
IUPAC NAME: [2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-oxidanylidene-2-[[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]amino]ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C23H21NO6
MOLECULAR WEIGHT: 407.41594
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)C
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Product OPENEYE NAME: ethyl 4-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylacetyl]piperazine-1-carboxylate
CAS Name: 4-[2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 4-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]piperazine-1-carboxylate
SYSTEMATIC NAME: ethyl 4-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoyl]piperazine-1-carboxylate
MOLECULAR FORMULA: C20H24N4O3S
MOLECULAR WEIGHT: 400.49456
SMILES: CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3
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Product OPENEYE NAME: benzhydryl-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]-methyl-ammonium
CAS Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-(diphenylmethyl)-methylammonium
IUPAC NAME: benzhydryl-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-methylazanium
SYSTEMATIC NAME: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-(diphenylmethyl)-methyl-azanium
MOLECULAR FORMULA: C23H23N2O3+
MOLECULAR WEIGHT: 375.44032
SMILES: C[NH+](CC(=O)NC1=CC2=C(C=C1)OCO2)C(C3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: 2-[benzhydryl(methyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(diphenylmethyl)-methylamino]acetamide
IUPAC NAME: 2-[benzhydryl(methyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
SYSTEMATIC NAME: N-(1,3-benzodioxol-5-yl)-2-[(diphenylmethyl)-methyl-amino]ethanamide
MOLECULAR FORMULA: C23H22N2O3
MOLECULAR WEIGHT: 374.43238
SMILES: CN(CC(=O)NC1=CC2=C(C=C1)OCO2)C(C3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: 1-[3-[2-(4-bromo-2-fluoro-phenoxy)acetyl]phenyl]pyrrolidin-2-one
CAS Name: 1-[3-[2-(4-bromo-2-fluorophenoxy)-1-oxoethyl]phenyl]-2-pyrrolidinone
IUPAC NAME: 1-[3-[2-(4-bromo-2-fluorophenoxy)acetyl]phenyl]pyrrolidin-2-one
SYSTEMATIC NAME: 1-[3-[2-(4-bromanyl-2-fluoranyl-phenoxy)ethanoyl]phenyl]pyrrolidin-2-one
MOLECULAR FORMULA: C18H15BrFNO3
MOLECULAR WEIGHT: 392.219003
SMILES: C1CC(=O)N(C1)C2=CC=CC(=C2)C(=O)COC3=C(C=C(C=C3)Br)F
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Product OPENEYE NAME: N,N-bis(2-cyanoethyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N,N-bis(2-cyanoethyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide
IUPAC NAME: N,N-bis(2-cyanoethyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N,N-bis(2-cyanoethyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C19H19N5OS
MOLECULAR WEIGHT: 365.45206
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)N(CCC#N)CCC#N
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