Friday, May 31, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 4-(1-phenylcyclobutanecarbonyl)piperazin-2-one
CAS Name: 4-[oxo-(1-phenylcyclobutyl)methyl]-2-piperazinone
IUPAC NAME: 4-(1-phenylcyclobutanecarbonyl)piperazin-2-one
SYSTEMATIC NAME: 4-(1-phenylcyclobutyl)carbonylpiperazin-2-one
MOLECULAR FORMULA: C15H18N2O2
MOLECULAR WEIGHT: 258.31562
SMILES: C1CC(C1)(C2=CC=CC=C2)C(=O)N3CCNC(=O)C3
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Product OPENEYE NAME: [(2R)-2-benzylpyrrolidin-1-yl]-(5-nitro-2-furyl)methanone
CAS Name: (5-nitro-2-furanyl)-[(2R)-2-(phenylmethyl)-1-pyrrolidinyl]methanone
IUPAC NAME: [(2R)-2-benzylpyrrolidin-1-yl]-(5-nitrofuran-2-yl)methanone
SYSTEMATIC NAME: (5-nitrofuran-2-yl)-[(2R)-2-(phenylmethyl)pyrrolidin-1-yl]methanone
MOLECULAR FORMULA: C16H16N2O4
MOLECULAR WEIGHT: 300.30924
SMILES: C1C[C@@H](N(C1)C(=O)C2=CC=C(O2)[N+](=O)[O-])CC3=CC=CC=C3
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Product OPENEYE NAME: [(2S)-2-benzylpyrrolidin-1-yl]-(5-nitro-2-furyl)methanone
CAS Name: (5-nitro-2-furanyl)-[(2S)-2-(phenylmethyl)-1-pyrrolidinyl]methanone
IUPAC NAME: [(2S)-2-benzylpyrrolidin-1-yl]-(5-nitrofuran-2-yl)methanone
SYSTEMATIC NAME: (5-nitrofuran-2-yl)-[(2S)-2-(phenylmethyl)pyrrolidin-1-yl]methanone
MOLECULAR FORMULA: C16H16N2O4
MOLECULAR WEIGHT: 300.30924
SMILES: C1C[C@H](N(C1)C(=O)C2=CC=C(O2)[N+](=O)[O-])CC3=CC=CC=C3
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Product OPENEYE NAME: [(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-nitro-2-furyl)methanone
CAS Name: [(2S)-2-(4-fluorophenyl)-1-pyrrolidinyl]-(5-nitro-2-furanyl)methanone
IUPAC NAME: [(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-nitrofuran-2-yl)methanone
SYSTEMATIC NAME: [(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-nitrofuran-2-yl)methanone
MOLECULAR FORMULA: C15H13FN2O4
MOLECULAR WEIGHT: 304.273123
SMILES: C1C[C@H](N(C1)C(=O)C2=CC=C(O2)[N+](=O)[O-])C3=CC=C(C=C3)F
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Product OPENEYE NAME: [(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-nitro-2-furyl)methanone
CAS Name: [(2R)-2-(4-fluorophenyl)-1-pyrrolidinyl]-(5-nitro-2-furanyl)methanone
IUPAC NAME: [(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-nitrofuran-2-yl)methanone
SYSTEMATIC NAME: [(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-nitrofuran-2-yl)methanone
MOLECULAR FORMULA: C15H13FN2O4
MOLECULAR WEIGHT: 304.273123
SMILES: C1C[C@@H](N(C1)C(=O)C2=CC=C(O2)[N+](=O)[O-])C3=CC=C(C=C3)F
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Product OPENEYE NAME: N'-(2,2-dimethylpropanoyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CAS Name: N'-(2,2-dimethyl-1-oxopropyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
IUPAC NAME: N'-(2,2-dimethylpropanoyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
SYSTEMATIC NAME: N'-(2,2-dimethylpropanoyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
MOLECULAR FORMULA: C20H21N5O2
MOLECULAR WEIGHT: 363.41304
SMILES: CC(C)(C)C(=O)NNC(=O)C1=NN(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: N'-(2-chloro-6-fluoro-benzoyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CAS Name: N'-[(2-chloro-6-fluorophenyl)-oxomethyl]-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
IUPAC NAME: N'-(2-chloro-6-fluorobenzoyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
SYSTEMATIC NAME: N'-(2-chloranyl-6-fluoranyl-phenyl)carbonyl-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
MOLECULAR FORMULA: C22H15ClFN5O2
MOLECULAR WEIGHT: 435.838203
SMILES: C1=CC=C(C=C1)C2=NC(=NN2C3=CC=CC=C3)C(=O)NNC(=O)C4=C(C=CC=C4Cl)F
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Product OPENEYE NAME: N'-(2,6-difluorobenzoyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CAS Name: N'-[(2,6-difluorophenyl)-oxomethyl]-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
IUPAC NAME: N'-(2,6-difluorobenzoyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
SYSTEMATIC NAME: N'-[2,6-bis(fluoranyl)phenyl]carbonyl-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
MOLECULAR FORMULA: C22H15F2N5O2
MOLECULAR WEIGHT: 419.383606
SMILES: C1=CC=C(C=C1)C2=NC(=NN2C3=CC=CC=C3)C(=O)NNC(=O)C4=C(C=CC=C4F)F
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Product OPENEYE NAME: 3-(2-chlorophenyl)-N-[(2S)-3-methyl-2-morpholino-butyl]propanamide
CAS Name: 3-(2-chlorophenyl)-N-[(2S)-3-methyl-2-(4-morpholinyl)butyl]propanamide
IUPAC NAME: 3-(2-chlorophenyl)-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]propanamide
SYSTEMATIC NAME: 3-(2-chlorophenyl)-N-[(2S)-3-methyl-2-morpholin-4-yl-butyl]propanamide
MOLECULAR FORMULA: C18H27ClN2O2
MOLECULAR WEIGHT: 338.87218
SMILES: CC(C)[C@@H](CNC(=O)CCC1=CC=CC=C1Cl)N2CCOCC2
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Product OPENEYE NAME: 3-(2-chlorophenyl)-N-[(2R)-3-methyl-2-morpholino-butyl]propanamide
CAS Name: 3-(2-chlorophenyl)-N-[(2R)-3-methyl-2-(4-morpholinyl)butyl]propanamide
IUPAC NAME: 3-(2-chlorophenyl)-N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]propanamide
SYSTEMATIC NAME: 3-(2-chlorophenyl)-N-[(2R)-3-methyl-2-morpholin-4-yl-butyl]propanamide
MOLECULAR FORMULA: C18H27ClN2O2
MOLECULAR WEIGHT: 338.87218
SMILES: CC(C)[C@H](CNC(=O)CCC1=CC=CC=C1Cl)N2CCOCC2
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Product OPENEYE NAME: 4-oxo-3-pentyl-N'-[2-(1,2,4-triazol-1-yl)acetyl]phthalazine-1-carbohydrazide
CAS Name: 4-oxo-N'-[1-oxo-2-(1,2,4-triazol-1-yl)ethyl]-3-pentyl-1-phthalazinecarbohydrazide
IUPAC NAME: 4-oxo-3-pentyl-N'-[2-(1,2,4-triazol-1-yl)acetyl]phthalazine-1-carbohydrazide
SYSTEMATIC NAME: 4-oxidanylidene-3-pentyl-N'-[2-(1,2,4-triazol-1-yl)ethanoyl]phthalazine-1-carbohydrazide
MOLECULAR FORMULA: C18H21N7O3
MOLECULAR WEIGHT: 383.40444
SMILES: CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)CN3C=NC=N3
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Product OPENEYE NAME: N-[4-(2,2-dimethylpropanoylamino)phenyl]-3-methyl-thiophene-2-carboxamide
CAS Name: N-[4-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]-3-methyl-2-thiophenecarboxamide
IUPAC NAME: N-[4-(2,2-dimethylpropanoylamino)phenyl]-3-methylthiophene-2-carboxamide
SYSTEMATIC NAME: N-[4-(2,2-dimethylpropanoylamino)phenyl]-3-methyl-thiophene-2-carboxamide
MOLECULAR FORMULA: C17H20N2O2S
MOLECULAR WEIGHT: 316.4179
SMILES: CC1=C(SC=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C(C)(C)C
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Product OPENEYE NAME: (3S)-N-[4-(2,2-dimethylpropanoylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CAS Name: (3S)-N-[4-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide
IUPAC NAME: (3S)-N-[4-(2,2-dimethylpropanoylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SYSTEMATIC NAME: (3S)-N-[4-(2,2-dimethylpropanoylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
MOLECULAR FORMULA: C20H22N2O4
MOLECULAR WEIGHT: 354.39968
SMILES: CC(C)(C)C(=O)NC1=CC=C(C=C1)NC(=O)[C@@H]2COC3=CC=CC=C3O2
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Product OPENEYE NAME: (3R)-N-[4-(2,2-dimethylpropanoylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CAS Name: (3R)-N-[4-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide
IUPAC NAME: (3R)-N-[4-(2,2-dimethylpropanoylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SYSTEMATIC NAME: (3R)-N-[4-(2,2-dimethylpropanoylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
MOLECULAR FORMULA: C20H22N2O4
MOLECULAR WEIGHT: 354.39968
SMILES: CC(C)(C)C(=O)NC1=CC=C(C=C1)NC(=O)[C@H]2COC3=CC=CC=C3O2
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Product OPENEYE NAME: N-[4-[[(2R)-2-acetamidopropanoyl]amino]phenyl]-2,2-dimethyl-propanamide
CAS Name: N-[4-[[(2R)-2-acetamido-1-oxopropyl]amino]phenyl]-2,2-dimethylpropanamide
IUPAC NAME: N-[4-[[(2R)-2-acetamidopropanoyl]amino]phenyl]-2,2-dimethylpropanamide
SYSTEMATIC NAME: N-[4-[[(2R)-2-acetamidopropanoyl]amino]phenyl]-2,2-dimethyl-propanamide
MOLECULAR FORMULA: C16H23N3O3
MOLECULAR WEIGHT: 305.37212
SMILES: C[C@H](C(=O)NC1=CC=C(C=C1)NC(=O)C(C)(C)C)NC(=O)C
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Product OPENEYE NAME: N-[4-[[(2S)-2-acetamidopropanoyl]amino]phenyl]-2,2-dimethyl-propanamide
CAS Name: N-[4-[[(2S)-2-acetamido-1-oxopropyl]amino]phenyl]-2,2-dimethylpropanamide
IUPAC NAME: N-[4-[[(2S)-2-acetamidopropanoyl]amino]phenyl]-2,2-dimethylpropanamide
SYSTEMATIC NAME: N-[4-[[(2S)-2-acetamidopropanoyl]amino]phenyl]-2,2-dimethyl-propanamide
MOLECULAR FORMULA: C16H23N3O3
MOLECULAR WEIGHT: 305.37212
SMILES: C[C@@H](C(=O)NC1=CC=C(C=C1)NC(=O)C(C)(C)C)NC(=O)C
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Product OPENEYE NAME: N-[4-(2,2-dimethylpropanoylamino)phenyl]-1,3,5-trimethyl-pyrazole-4-carboxamide
CAS Name: N-[4-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]-1,3,5-trimethyl-4-pyrazolecarboxamide
IUPAC NAME: N-[4-(2,2-dimethylpropanoylamino)phenyl]-1,3,5-trimethylpyrazole-4-carboxamide
SYSTEMATIC NAME: N-[4-(2,2-dimethylpropanoylamino)phenyl]-1,3,5-trimethyl-pyrazole-4-carboxamide
MOLECULAR FORMULA: C18H24N4O2
MOLECULAR WEIGHT: 328.40876
SMILES: CC1=C(C(=NN1C)C)C(=O)NC2=CC=C(C=C2)NC(=O)C(C)(C)C
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Product OPENEYE NAME: ethyl N-[[4-chloro-2-[(4-fluorobenzoyl)amino]benzoyl]amino]carbamate
CAS Name: N-[[[4-chloro-2-[[(4-fluorophenyl)-oxomethyl]amino]phenyl]-oxomethyl]amino]carbamic acid ethyl ester
IUPAC NAME: ethyl N-[[4-chloro-2-[(4-fluorobenzoyl)amino]benzoyl]amino]carbamate
SYSTEMATIC NAME: ethyl N-[[4-chloranyl-2-[(4-fluorophenyl)carbonylamino]phenyl]carbonylamino]carbamate
MOLECULAR FORMULA: C17H15ClFN3O4
MOLECULAR WEIGHT: 379.770103
SMILES: CCOC(=O)NNC(=O)C1=C(C=C(C=C1)Cl)NC(=O)C2=CC=C(C=C2)F
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Product OPENEYE NAME: (2S,3S)-2-(2-methoxyphenyl)-6-oxo-1-(p-tolyl)-N-[2-(2-pyridyl)ethyl]piperidine-3-carboxamide
CAS Name: (2S,3S)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxo-N-[2-(2-pyridinyl)ethyl]-3-piperidinecarboxamide
IUPAC NAME: (2S,3S)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxo-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
SYSTEMATIC NAME: (2S,3S)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxidanylidene-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
MOLECULAR FORMULA: C27H29N3O3
MOLECULAR WEIGHT: 443.53746
SMILES: CC1=CC=C(C=C1)N2[C@@H]([C@H](CCC2=O)C(=O)NCCC3=CC=CC=N3)C4=CC=CC=C4OC
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Product OPENEYE NAME: (2R,3S)-2-(2-methoxyphenyl)-6-oxo-1-(p-tolyl)-N-[2-(2-pyridyl)ethyl]piperidine-3-carboxamide
CAS Name: (2R,3S)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxo-N-[2-(2-pyridinyl)ethyl]-3-piperidinecarboxamide
IUPAC NAME: (2R,3S)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxo-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
SYSTEMATIC NAME: (2R,3S)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxidanylidene-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
MOLECULAR FORMULA: C27H29N3O3
MOLECULAR WEIGHT: 443.53746
SMILES: CC1=CC=C(C=C1)N2[C@H]([C@H](CCC2=O)C(=O)NCCC3=CC=CC=N3)C4=CC=CC=C4OC
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Product OPENEYE NAME: (2S,3R)-2-(2-methoxyphenyl)-6-oxo-1-(p-tolyl)-N-[2-(2-pyridyl)ethyl]piperidine-3-carboxamide
CAS Name: (2S,3R)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxo-N-[2-(2-pyridinyl)ethyl]-3-piperidinecarboxamide
IUPAC NAME: (2S,3R)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxo-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
SYSTEMATIC NAME: (2S,3R)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxidanylidene-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
MOLECULAR FORMULA: C27H29N3O3
MOLECULAR WEIGHT: 443.53746
SMILES: CC1=CC=C(C=C1)N2[C@@H]([C@@H](CCC2=O)C(=O)NCCC3=CC=CC=N3)C4=CC=CC=C4OC
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