Friday, May 17, 2013

All Chemical Compounds Information




Product OPENEYE NAME: N-(5-fluoro-2-methyl-phenyl)-2-tetralin-6-yl-acetamide
CAS Name: N-(5-fluoro-2-methylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
IUPAC NAME: N-(5-fluoro-2-methylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
SYSTEMATIC NAME: N-(5-fluoranyl-2-methyl-phenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamide
MOLECULAR FORMULA: C19H20FNO
MOLECULAR WEIGHT: 297.366603
SMILES: CC1=C(C=C(C=C1)F)NC(=O)CC2=CC3=C(CCCC3)C=C2
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Product OPENEYE NAME: N-[3-(2-morpholinoethylamino)-3-oxo-propyl]adamantane-1-carboxamide
CAS Name: N-[3-[2-(4-morpholinyl)ethylamino]-3-oxopropyl]-1-adamantanecarboxamide
IUPAC NAME: N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]adamantane-1-carboxamide
SYSTEMATIC NAME: N-[3-(2-morpholin-4-ylethylamino)-3-oxidanylidene-propyl]adamantane-1-carboxamide
MOLECULAR FORMULA: C20H33N3O3
MOLECULAR WEIGHT: 363.49432
SMILES: C1COCCN1CCNC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3
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Product OPENEYE NAME: 2-benzhydryloxy-N-cyclopentyl-acetamide
CAS Name: N-cyclopentyl-2-(diphenylmethyl)oxyacetamide
IUPAC NAME: 2-benzhydryloxy-N-cyclopentylacetamide
SYSTEMATIC NAME: N-cyclopentyl-2-(diphenylmethyl)oxy-ethanamide
MOLECULAR FORMULA: C20H23NO2
MOLECULAR WEIGHT: 309.40212
SMILES: C1CCC(C1)NC(=O)COC(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: 2,4-dichloro-N-cyclooctyl-5-(cyclopropylsulfamoyl)benzamide
CAS Name: 2,4-dichloro-N-cyclooctyl-5-(cyclopropylsulfamoyl)benzamide
IUPAC NAME: 2,4-dichloro-N-cyclooctyl-5-(cyclopropylsulfamoyl)benzamide
SYSTEMATIC NAME: 2,4-bis(chloranyl)-N-cyclooctyl-5-(cyclopropylsulfamoyl)benzamide
MOLECULAR FORMULA: C18H24Cl2N2O3S
MOLECULAR WEIGHT: 419.36576
SMILES: C1CCCC(CCC1)NC(=O)C2=CC(=C(C=C2Cl)Cl)S(=O)(=O)NC3CC3
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Product OPENEYE NAME: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-isobutoxyphenyl)methanone
CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[3-(2-methylpropoxy)phenyl]methanone
IUPAC NAME: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone
SYSTEMATIC NAME: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone
MOLECULAR FORMULA: C23H28N2O4
MOLECULAR WEIGHT: 396.47942
SMILES: CC(C)COC1=CC=CC(=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4
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Product OPENEYE NAME: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2,5-dimethoxyphenyl)methanone
CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(2,5-dimethoxyphenyl)methanone
IUPAC NAME: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2,5-dimethoxyphenyl)methanone
SYSTEMATIC NAME: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2,5-dimethoxyphenyl)methanone
MOLECULAR FORMULA: C21H24N2O5
MOLECULAR WEIGHT: 384.42566
SMILES: COC1=CC(=C(C=C1)OC)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4
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Product OPENEYE NAME: N-(2-methoxy-5-methyl-phenyl)-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
CAS Name: N-(2-methoxy-5-methylphenyl)-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
IUPAC NAME: N-(2-methoxy-5-methylphenyl)-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
SYSTEMATIC NAME: N-(2-methoxy-5-methyl-phenyl)-4-oxidanylidene-4-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)butanamide
MOLECULAR FORMULA: C20H21N3O4
MOLECULAR WEIGHT: 367.39844
SMILES: CC1=CC(=C(C=C1)OC)NC(=O)CCC(=O)N2CC(=O)NC3=CC=CC=C32
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Product OPENEYE NAME: ethyl (3R)-1-[3-(adamantane-1-carbonylamino)propanoyl]piperidine-3-carboxylate
CAS Name: (3R)-1-[3-[[1-adamantyl(oxo)methyl]amino]-1-oxopropyl]-3-piperidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl (3R)-1-[3-(adamantane-1-carbonylamino)propanoyl]piperidine-3-carboxylate
SYSTEMATIC NAME: ethyl (3R)-1-[3-(1-adamantylcarbonylamino)propanoyl]piperidine-3-carboxylate
MOLECULAR FORMULA: C22H34N2O4
MOLECULAR WEIGHT: 390.51636
SMILES: CCOC(=O)[C@@H]1CCCN(C1)C(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3
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Product OPENEYE NAME: ethyl (3S)-1-[3-(adamantane-1-carbonylamino)propanoyl]piperidine-3-carboxylate
CAS Name: (3S)-1-[3-[[1-adamantyl(oxo)methyl]amino]-1-oxopropyl]-3-piperidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl (3S)-1-[3-(adamantane-1-carbonylamino)propanoyl]piperidine-3-carboxylate
SYSTEMATIC NAME: ethyl (3S)-1-[3-(1-adamantylcarbonylamino)propanoyl]piperidine-3-carboxylate
MOLECULAR FORMULA: C22H34N2O4
MOLECULAR WEIGHT: 390.51636
SMILES: CCOC(=O)[C@H]1CCCN(C1)C(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3
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Product OPENEYE NAME: ethyl (3R)-1-[3-(cyclopropylsulfamoyl)benzoyl]piperidine-3-carboxylate
CAS Name: (3R)-1-[[3-(cyclopropylsulfamoyl)phenyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl (3R)-1-[3-(cyclopropylsulfamoyl)benzoyl]piperidine-3-carboxylate
SYSTEMATIC NAME: ethyl (3R)-1-[3-(cyclopropylsulfamoyl)phenyl]carbonylpiperidine-3-carboxylate
MOLECULAR FORMULA: C18H24N2O5S
MOLECULAR WEIGHT: 380.45856
SMILES: CCOC(=O)[C@@H]1CCCN(C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)NC3CC3
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Product OPENEYE NAME: ethyl (3S)-1-[3-(cyclopropylsulfamoyl)benzoyl]piperidine-3-carboxylate
CAS Name: (3S)-1-[[3-(cyclopropylsulfamoyl)phenyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl (3S)-1-[3-(cyclopropylsulfamoyl)benzoyl]piperidine-3-carboxylate
SYSTEMATIC NAME: ethyl (3S)-1-[3-(cyclopropylsulfamoyl)phenyl]carbonylpiperidine-3-carboxylate
MOLECULAR FORMULA: C18H24N2O5S
MOLECULAR WEIGHT: 380.45856
SMILES: CCOC(=O)[C@H]1CCCN(C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)NC3CC3
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Product OPENEYE NAME: ethyl (3R)-1-[2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-3-carboxylate
CAS Name: (3R)-1-[2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl (3R)-1-[2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-3-carboxylate
SYSTEMATIC NAME: ethyl (3R)-1-[2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]piperidine-3-carboxylate
MOLECULAR FORMULA: C20H26N4O3S
MOLECULAR WEIGHT: 402.51044
SMILES: CCOC(=O)[C@@H]1CCCN(C1)C(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C
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Product OPENEYE NAME: ethyl (3S)-1-[2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-3-carboxylate
CAS Name: (3S)-1-[2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl (3S)-1-[2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-3-carboxylate
SYSTEMATIC NAME: ethyl (3S)-1-[2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]piperidine-3-carboxylate
MOLECULAR FORMULA: C20H26N4O3S
MOLECULAR WEIGHT: 402.51044
SMILES: CCOC(=O)[C@H]1CCCN(C1)C(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C
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Product OPENEYE NAME: N-(2,5-dimethoxyphenyl)-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
CAS Name: N-(2,5-dimethoxyphenyl)-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
IUPAC NAME: N-(2,5-dimethoxyphenyl)-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
SYSTEMATIC NAME: N-(2,5-dimethoxyphenyl)-4-oxidanylidene-4-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)butanamide
MOLECULAR FORMULA: C20H21N3O5
MOLECULAR WEIGHT: 383.39784
SMILES: COC1=CC(=C(C=C1)OC)NC(=O)CCC(=O)N2CC(=O)NC3=CC=CC=C32
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Product OPENEYE NAME: N4-(2,5-dimethoxyphenyl)terephthalamide
CAS Name: N4-(2,5-dimethoxyphenyl)benzene-1,4-dicarboxamide
IUPAC NAME: 4-N-(2,5-dimethoxyphenyl)benzene-1,4-dicarboxamide
SYSTEMATIC NAME: N4-(2,5-dimethoxyphenyl)benzene-1,4-dicarboxamide
MOLECULAR FORMULA: C16H16N2O4
MOLECULAR WEIGHT: 300.30924
SMILES: COC1=CC(=C(C=C1)OC)NC(=O)C2=CC=C(C=C2)C(=O)N
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Product OPENEYE NAME: N-[2-(1H-indol-3-yl)ethyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
CAS Name: N-[2-(1H-indol-3-yl)ethyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
IUPAC NAME: N-[2-(1H-indol-3-yl)ethyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
SYSTEMATIC NAME: N-[2-(1H-indol-3-yl)ethyl]-4-oxidanylidene-4-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)butanamide
MOLECULAR FORMULA: C22H22N4O3
MOLECULAR WEIGHT: 390.43508
SMILES: C1C(=O)NC2=CC=CC=C2N1C(=O)CCC(=O)NCCC3=CNC4=CC=CC=C43
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Product OPENEYE NAME: 3-(cyclopropylsulfamoyl)-N-[(1R)-tetralin-1-yl]benzamide
CAS Name: 3-(cyclopropylsulfamoyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
IUPAC NAME: 3-(cyclopropylsulfamoyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
SYSTEMATIC NAME: 3-(cyclopropylsulfamoyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
MOLECULAR FORMULA: C20H22N2O3S
MOLECULAR WEIGHT: 370.46528
SMILES: C1C[C@H](C2=CC=CC=C2C1)NC(=O)C3=CC(=CC=C3)S(=O)(=O)NC4CC4
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Product OPENEYE NAME: 3-(cyclopropylsulfamoyl)-N-[(1S)-tetralin-1-yl]benzamide
CAS Name: 3-(cyclopropylsulfamoyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
IUPAC NAME: 3-(cyclopropylsulfamoyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
SYSTEMATIC NAME: 3-(cyclopropylsulfamoyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
MOLECULAR FORMULA: C20H22N2O3S
MOLECULAR WEIGHT: 370.46528
SMILES: C1C[C@@H](C2=CC=CC=C2C1)NC(=O)C3=CC(=CC=C3)S(=O)(=O)NC4CC4
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Product OPENEYE NAME: 4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-[(1R)-tetralin-1-yl]butanamide
CAS Name: 4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
IUPAC NAME: 4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
SYSTEMATIC NAME: 4-oxidanylidene-4-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
MOLECULAR FORMULA: C22H23N3O3
MOLECULAR WEIGHT: 377.43632
SMILES: C1C[C@H](C2=CC=CC=C2C1)NC(=O)CCC(=O)N3CC(=O)NC4=CC=CC=C43
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Product OPENEYE NAME: 4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-[(1S)-tetralin-1-yl]butanamide
CAS Name: 4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
IUPAC NAME: 4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
SYSTEMATIC NAME: 4-oxidanylidene-4-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
MOLECULAR FORMULA: C22H23N3O3
MOLECULAR WEIGHT: 377.43632
SMILES: C1C[C@@H](C2=CC=CC=C2C1)NC(=O)CCC(=O)N3CC(=O)NC4=CC=CC=C43
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Product OPENEYE NAME: 3-isobutoxy-N-[2-(2-pyridyl)ethyl]benzamide
CAS Name: 3-(2-methylpropoxy)-N-[2-(2-pyridinyl)ethyl]benzamide
IUPAC NAME: 3-(2-methylpropoxy)-N-(2-pyridin-2-ylethyl)benzamide
SYSTEMATIC NAME: 3-(2-methylpropoxy)-N-(2-pyridin-2-ylethyl)benzamide
MOLECULAR FORMULA: C18H22N2O2
MOLECULAR WEIGHT: 298.37948
SMILES: CC(C)COC1=CC=CC(=C1)C(=O)NCCC2=CC=CC=N2
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Product OPENEYE NAME: 2,5-dimethoxy-N-[2-(2-pyridyl)ethyl]benzamide
CAS Name: 2,5-dimethoxy-N-[2-(2-pyridinyl)ethyl]benzamide
IUPAC NAME: 2,5-dimethoxy-N-(2-pyridin-2-ylethyl)benzamide
SYSTEMATIC NAME: 2,5-dimethoxy-N-(2-pyridin-2-ylethyl)benzamide
MOLECULAR FORMULA: C16H18N2O3
MOLECULAR WEIGHT: 286.32572
SMILES: COC1=CC(=C(C=C1)OC)C(=O)NCCC2=CC=CC=N2
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