Monday, February 25, 2013

All Chemical Compounds Information




Product OPENEYE NAME: benzhydryl-[2-(5-chloro-2-methoxy-anilino)-2-oxo-ethyl]-methyl-ammonium
CAS Name: [2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-(diphenylmethyl)-methylammonium
IUPAC NAME: benzhydryl-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylazanium
SYSTEMATIC NAME: [2-[(5-chloranyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]-(diphenylmethyl)-methyl-azanium
MOLECULAR FORMULA: C23H24ClN2O2+
MOLECULAR WEIGHT: 395.90186
SMILES: C[NH+](CC(=O)NC1=C(C=CC(=C1)Cl)OC)C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: 2-[benzhydryl(methyl)amino]-N-(5-chloro-2-methoxy-phenyl)acetamide
CAS Name: N-(5-chloro-2-methoxyphenyl)-2-[(diphenylmethyl)-methylamino]acetamide
IUPAC NAME: 2-[benzhydryl(methyl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
SYSTEMATIC NAME: N-(5-chloranyl-2-methoxy-phenyl)-2-[(diphenylmethyl)-methyl-amino]ethanamide
MOLECULAR FORMULA: C23H23ClN2O2
MOLECULAR WEIGHT: 394.89392
SMILES: CN(CC(=O)NC1=C(C=CC(=C1)Cl)OC)C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: [2-[[(3S)-1,1-dioxothiolan-3-yl]-ethyl-amino]-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-[[(3S)-1,1-dioxo-3-thiolanyl]-ethylamino]-2-oxoethyl] ester
IUPAC NAME: [2-[[(3S)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-ethyl-amino]-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C19H21NO7S
MOLECULAR WEIGHT: 407.43754
SMILES: CCN([C@H]1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)C
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Product OPENEYE NAME: (2S)-N-(benzylcarbamoyl)-2-(4-bromo-2-fluoro-phenoxy)propanamide
CAS Name: (2S)-2-(4-bromo-2-fluorophenoxy)-N-[oxo-[(phenylmethyl)amino]methyl]propanamide
IUPAC NAME: (2S)-N-(benzylcarbamoyl)-2-(4-bromo-2-fluorophenoxy)propanamide
SYSTEMATIC NAME: (2S)-2-(4-bromanyl-2-fluoranyl-phenoxy)-N-[(phenylmethyl)carbamoyl]propanamide
MOLECULAR FORMULA: C17H16BrFN2O3
MOLECULAR WEIGHT: 395.222943
SMILES: C[C@@H](C(=O)NC(=O)NCC1=CC=CC=C1)OC2=C(C=C(C=C2)Br)F
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Product OPENEYE NAME: (2R)-N-(5-chloro-2-methoxy-phenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
CAS Name: (2R)-N-(5-chloro-2-methoxyphenyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]propanamide
IUPAC NAME: (2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropanamide
SYSTEMATIC NAME: (2R)-N-(5-chloranyl-2-methoxy-phenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
MOLECULAR FORMULA: C21H20ClN3O2S
MOLECULAR WEIGHT: 413.9204
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)S[C@H](C)C(=O)NC3=C(C=CC(=C3)Cl)OC
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Product OPENEYE NAME: benzhydryl-methyl-[2-(3-nitroanilino)-2-oxo-ethyl]ammonium
CAS Name: (diphenylmethyl)-methyl-[2-(3-nitroanilino)-2-oxoethyl]ammonium
IUPAC NAME: benzhydryl-methyl-[2-(3-nitroanilino)-2-oxoethyl]azanium
SYSTEMATIC NAME: (diphenylmethyl)-methyl-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]azanium
MOLECULAR FORMULA: C22H22N3O3+
MOLECULAR WEIGHT: 376.42838
SMILES: C[NH+](CC(=O)NC1=CC(=CC=C1)[N+](=O)[O-])C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: 2-[benzhydryl(methyl)amino]-N-(3-nitrophenyl)acetamide
CAS Name: 2-[(diphenylmethyl)-methylamino]-N-(3-nitrophenyl)acetamide
IUPAC NAME: 2-[benzhydryl(methyl)amino]-N-(3-nitrophenyl)acetamide
SYSTEMATIC NAME: 2-[(diphenylmethyl)-methyl-amino]-N-(3-nitrophenyl)ethanamide
MOLECULAR FORMULA: C22H21N3O3
MOLECULAR WEIGHT: 375.42044
SMILES: CN(CC(=O)NC1=CC(=CC=C1)[N+](=O)[O-])C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: o-tolylmethyl 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid (2-methylphenyl)methyl ester
IUPAC NAME: (2-methylphenyl)methyl 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: (2-methylphenyl)methyl 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C19H16O4
MOLECULAR WEIGHT: 308.32794
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC3=CC=CC=C3C
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Product OPENEYE NAME: (2S)-N-(2-fluorophenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
CAS Name: (2S)-N-(2-fluorophenyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]propanamide
IUPAC NAME: (2S)-N-(2-fluorophenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropanamide
SYSTEMATIC NAME: (2S)-N-(2-fluorophenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
MOLECULAR FORMULA: C20H18FN3OS
MOLECULAR WEIGHT: 367.439823
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)S[C@@H](C)C(=O)NC3=CC=CC=C3F
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Product OPENEYE NAME: (2R)-N-(benzylcarbamoyl)-2-(4-bromo-2-fluoro-phenoxy)propanamide
CAS Name: (2R)-2-(4-bromo-2-fluorophenoxy)-N-[oxo-[(phenylmethyl)amino]methyl]propanamide
IUPAC NAME: (2R)-N-(benzylcarbamoyl)-2-(4-bromo-2-fluorophenoxy)propanamide
SYSTEMATIC NAME: (2R)-2-(4-bromanyl-2-fluoranyl-phenoxy)-N-[(phenylmethyl)carbamoyl]propanamide
MOLECULAR FORMULA: C17H16BrFN2O3
MOLECULAR WEIGHT: 395.222943
SMILES: C[C@H](C(=O)NC(=O)NCC1=CC=CC=C1)OC2=C(C=C(C=C2)Br)F
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Product OPENEYE NAME: [(1S)-2-amino-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-amino-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-amino-1-oxopropan-2-yl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [(2S)-1-azanyl-1-oxidanylidene-propan-2-yl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C14H13NO5
MOLECULAR WEIGHT: 275.25672
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)O[C@@H](C)C(=O)N
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Product OPENEYE NAME: [2-(4-acetamidoanilino)-2-oxo-ethyl]-benzhydryl-methyl-ammonium
CAS Name: [2-(4-acetamidoanilino)-2-oxoethyl]-(diphenylmethyl)-methylammonium
IUPAC NAME: [2-(4-acetamidoanilino)-2-oxoethyl]-benzhydryl-methylazanium
SYSTEMATIC NAME: [2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl]-(diphenylmethyl)-methyl-azanium
MOLECULAR FORMULA: C24H26N3O2+
MOLECULAR WEIGHT: 388.48214
SMILES: CC(=O)NC1=CC=C(C=C1)NC(=O)C[NH+](C)C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: N-(4-acetamidophenyl)-2-[benzhydryl(methyl)amino]acetamide
CAS Name: N-(4-acetamidophenyl)-2-[(diphenylmethyl)-methylamino]acetamide
IUPAC NAME: N-(4-acetamidophenyl)-2-[benzhydryl(methyl)amino]acetamide
SYSTEMATIC NAME: N-(4-acetamidophenyl)-2-[(diphenylmethyl)-methyl-amino]ethanamide
MOLECULAR FORMULA: C24H25N3O2
MOLECULAR WEIGHT: 387.4742
SMILES: CC(=O)NC1=CC=C(C=C1)NC(=O)CN(C)C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: (2R)-N-(2-fluorophenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
CAS Name: (2R)-N-(2-fluorophenyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]propanamide
IUPAC NAME: (2R)-N-(2-fluorophenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropanamide
SYSTEMATIC NAME: (2R)-N-(2-fluorophenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
MOLECULAR FORMULA: C20H18FN3OS
MOLECULAR WEIGHT: 367.439823
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)S[C@H](C)C(=O)NC3=CC=CC=C3F
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