Wednesday, May 29, 2013

All Chemical Compounds Information




Product OPENEYE NAME: [5-(p-tolylcarbamoyl)-1,3,4-thiadiazol-2-yl]methyl 2-cyclopentylacetate
CAS Name: 2-cyclopentylacetic acid [5-[(4-methylanilino)-oxomethyl]-1,3,4-thiadiazol-2-yl]methyl ester
IUPAC NAME: [5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl 2-cyclopentylacetate
SYSTEMATIC NAME: [5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl 2-cyclopentylethanoate
MOLECULAR FORMULA: C18H21N3O3S
MOLECULAR WEIGHT: 359.44264
SMILES: CC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)COC(=O)CC3CCCC3
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Product OPENEYE NAME: [5-(p-tolylcarbamoyl)-1,3,4-thiadiazol-2-yl]methyl 4-(4-fluorophenyl)-4-oxo-butanoate
CAS Name: 4-(4-fluorophenyl)-4-oxobutanoic acid [5-[(4-methylanilino)-oxomethyl]-1,3,4-thiadiazol-2-yl]methyl ester
IUPAC NAME: [5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl 4-(4-fluorophenyl)-4-oxobutanoate
SYSTEMATIC NAME: [5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl 4-(4-fluorophenyl)-4-oxidanylidene-butanoate
MOLECULAR FORMULA: C21H18FN3O4S
MOLECULAR WEIGHT: 427.448723
SMILES: CC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)COC(=O)CCC(=O)C3=CC=C(C=C3)F
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Product OPENEYE NAME: [5-(p-tolylcarbamoyl)-1,3,4-thiadiazol-2-yl]methyl 2-[(1R,2S,4S)-norbornan-2-yl]acetate
CAS Name: 2-[(1S,3S,4R)-3-bicyclo[2.2.1]heptanyl]acetic acid [5-[(4-methylanilino)-oxomethyl]-1,3,4-thiadiazol-2-yl]methyl ester
IUPAC NAME: [5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl 2-[(1S,3S,4R)-3-bicyclo[2.2.1]heptanyl]acetate
SYSTEMATIC NAME: [5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl 2-[(1S,3S,4R)-3-bicyclo[2.2.1]heptanyl]ethanoate
MOLECULAR FORMULA: C20H23N3O3S
MOLECULAR WEIGHT: 385.47992
SMILES: CC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)COC(=O)C[C@@H]3C[C@H]4CC[C@@H]3C4
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Product OPENEYE NAME: [5-(p-tolylcarbamoyl)-1,3,4-thiadiazol-2-yl]methyl 2-[(1R,2R,4S)-norbornan-2-yl]acetate
CAS Name: 2-[(1S,3R,4R)-3-bicyclo[2.2.1]heptanyl]acetic acid [5-[(4-methylanilino)-oxomethyl]-1,3,4-thiadiazol-2-yl]methyl ester
IUPAC NAME: [5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl 2-[(1S,3R,4R)-3-bicyclo[2.2.1]heptanyl]acetate
SYSTEMATIC NAME: [5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl 2-[(1S,3R,4R)-3-bicyclo[2.2.1]heptanyl]ethanoate
MOLECULAR FORMULA: C20H23N3O3S
MOLECULAR WEIGHT: 385.47992
SMILES: CC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)COC(=O)C[C@H]3C[C@H]4CC[C@@H]3C4
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Product OPENEYE NAME: N-(6-fluoro-1,3-benzothiazol-2-yl)-2-imidazo[1,2-a]pyridin-2-yl-acetamide
CAS Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(2-imidazo[1,2-a]pyridinyl)acetamide
IUPAC NAME: N-(6-fluoro-1,3-benzothiazol-2-yl)-2-imidazo[1,2-a]pyridin-2-ylacetamide
SYSTEMATIC NAME: N-(6-fluoranyl-1,3-benzothiazol-2-yl)-2-imidazo[1,2-a]pyridin-2-yl-ethanamide
MOLECULAR FORMULA: C16H11FN4OS
MOLECULAR WEIGHT: 326.348143
SMILES: C1=CC2=NC(=CN2C=C1)CC(=O)NC3=NC4=C(S3)C=C(C=C4)F
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Product OPENEYE NAME: 1-[2-[4-(5-morpholinosulfonyl-2-pyridyl)piperazin-1-yl]-2-oxo-ethyl]pyrrolidin-2-one
CAS Name: 1-[2-[4-[5-(4-morpholinylsulfonyl)-2-pyridinyl]-1-piperazinyl]-2-oxoethyl]-2-pyrrolidinone
IUPAC NAME: 1-[2-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one
SYSTEMATIC NAME: 1-[2-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]pyrrolidin-2-one
MOLECULAR FORMULA: C19H27N5O5S
MOLECULAR WEIGHT: 437.51318
SMILES: C1CC(=O)N(C1)CC(=O)N2CCN(CC2)C3=NC=C(C=C3)S(=O)(=O)N4CCOCC4
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Product OPENEYE NAME: N,4-dimethyl-2-phenyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)thiazole-5-carboxamide
CAS Name: N,4-dimethyl-2-phenyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-5-thiazolecarboxamide
IUPAC NAME: N,4-dimethyl-2-phenyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-1,3-thiazole-5-carboxamide
SYSTEMATIC NAME: N,4-dimethyl-2-phenyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-1,3-thiazole-5-carboxamide
MOLECULAR FORMULA: C20H23N5OS
MOLECULAR WEIGHT: 381.49452
SMILES: CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)N(C)CC3=NN=C4N3CCCCC4
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Product OPENEYE NAME: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[5-(1,3-benzothiazol-2-yl)-2-furyl]methanone
CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-[5-(1,3-benzothiazol-2-yl)-2-furanyl]methanone
IUPAC NAME: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[5-(1,3-benzothiazol-2-yl)furan-2-yl]methanone
SYSTEMATIC NAME: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[5-(1,3-benzothiazol-2-yl)furan-2-yl]methanone
MOLECULAR FORMULA: C22H26N4O4S2
MOLECULAR WEIGHT: 474.59624
SMILES: C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(O3)C4=NC5=CC=CC=C5S4
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Product OPENEYE NAME: N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-5-(trifluoromethyl)pyridine-2-carboxamide
CAS Name: N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-5-(trifluoromethyl)-2-pyridinecarboxamide
IUPAC NAME: N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-5-(trifluoromethyl)pyridine-2-carboxamide
SYSTEMATIC NAME: N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-5-(trifluoromethyl)pyridine-2-carboxamide
MOLECULAR FORMULA: C16H10F3N3O3S
MOLECULAR WEIGHT: 381.32911
SMILES: C1COC2=C(O1)C=C3C(=C2)SC(=N3)NC(=O)C4=NC=C(C=C4)C(F)(F)F
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Product OPENEYE NAME: (4S)-1-(3-fluoro-4-methyl-phenyl)-4-[4-(4-hydroxybenzoyl)piperidine-1-carbonyl]pyrrolidin-2-one
CAS Name: (4S)-1-(3-fluoro-4-methylphenyl)-4-[[4-[(4-hydroxyphenyl)-oxomethyl]-1-piperidinyl]-oxomethyl]-2-pyrrolidinone
IUPAC NAME: (4S)-1-(3-fluoro-4-methylphenyl)-4-[4-(4-hydroxybenzoyl)piperidine-1-carbonyl]pyrrolidin-2-one
SYSTEMATIC NAME: (4S)-1-(3-fluoranyl-4-methyl-phenyl)-4-[4-(4-hydroxyphenyl)carbonylpiperidin-1-yl]carbonyl-pyrrolidin-2-one
MOLECULAR FORMULA: C24H25FN2O4
MOLECULAR WEIGHT: 424.464703
SMILES: CC1=C(C=C(C=C1)N2C[C@H](CC2=O)C(=O)N3CCC(CC3)C(=O)C4=CC=C(C=C4)O)F
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Product OPENEYE NAME: (4R)-1-(3-fluoro-4-methyl-phenyl)-4-[4-(4-hydroxybenzoyl)piperidine-1-carbonyl]pyrrolidin-2-one
CAS Name: (4R)-1-(3-fluoro-4-methylphenyl)-4-[[4-[(4-hydroxyphenyl)-oxomethyl]-1-piperidinyl]-oxomethyl]-2-pyrrolidinone
IUPAC NAME: (4R)-1-(3-fluoro-4-methylphenyl)-4-[4-(4-hydroxybenzoyl)piperidine-1-carbonyl]pyrrolidin-2-one
SYSTEMATIC NAME: (4R)-1-(3-fluoranyl-4-methyl-phenyl)-4-[4-(4-hydroxyphenyl)carbonylpiperidin-1-yl]carbonyl-pyrrolidin-2-one
MOLECULAR FORMULA: C24H25FN2O4
MOLECULAR WEIGHT: 424.464703
SMILES: CC1=C(C=C(C=C1)N2C[C@@H](CC2=O)C(=O)N3CCC(CC3)C(=O)C4=CC=C(C=C4)O)F
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Product OPENEYE NAME: methyl 2-[[1-(2-fluorophenyl)-5-methyl-pyrazole-4-carbonyl]amino]-4,5-dimethoxy-benzoate
CAS Name: 2-[[[1-(2-fluorophenyl)-5-methyl-4-pyrazolyl]-oxomethyl]amino]-4,5-dimethoxybenzoic acid methyl ester
IUPAC NAME: methyl 2-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-4,5-dimethoxybenzoate
SYSTEMATIC NAME: methyl 2-[[1-(2-fluorophenyl)-5-methyl-pyrazol-4-yl]carbonylamino]-4,5-dimethoxy-benzoate
MOLECULAR FORMULA: C21H20FN3O5
MOLECULAR WEIGHT: 413.399003
SMILES: CC1=C(C=NN1C2=CC=CC=C2F)C(=O)NC3=CC(=C(C=C3C(=O)OC)OC)OC
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Product OPENEYE NAME: 4-bromo-N-[3-oxo-3-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]propyl]benzamide
CAS Name: 4-bromo-N-[3-oxo-3-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]propyl]benzamide
IUPAC NAME: 4-bromo-N-[3-oxo-3-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]propyl]benzamide
SYSTEMATIC NAME: 4-bromanyl-N-[3-oxidanylidene-3-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]propyl]benzamide
MOLECULAR FORMULA: C17H20BrF3N2O2
MOLECULAR WEIGHT: 421.25211
SMILES: C1C[C@H](C[C@@H](C1)NC(=O)CCNC(=O)C2=CC=C(C=C2)Br)C(F)(F)F
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Product OPENEYE NAME: 4-bromo-N-[3-oxo-3-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]amino]propyl]benzamide
CAS Name: 4-bromo-N-[3-oxo-3-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]amino]propyl]benzamide
IUPAC NAME: 4-bromo-N-[3-oxo-3-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]amino]propyl]benzamide
SYSTEMATIC NAME: 4-bromanyl-N-[3-oxidanylidene-3-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]amino]propyl]benzamide
MOLECULAR FORMULA: C17H20BrF3N2O2
MOLECULAR WEIGHT: 421.25211
SMILES: C1C[C@@H](C[C@@H](C1)NC(=O)CCNC(=O)C2=CC=C(C=C2)Br)C(F)(F)F
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Product OPENEYE NAME: 4-bromo-N-[3-oxo-3-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]propyl]benzamide
CAS Name: 4-bromo-N-[3-oxo-3-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]propyl]benzamide
IUPAC NAME: 4-bromo-N-[3-oxo-3-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]propyl]benzamide
SYSTEMATIC NAME: 4-bromanyl-N-[3-oxidanylidene-3-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]propyl]benzamide
MOLECULAR FORMULA: C17H20BrF3N2O2
MOLECULAR WEIGHT: 421.25211
SMILES: C1C[C@H](C[C@H](C1)NC(=O)CCNC(=O)C2=CC=C(C=C2)Br)C(F)(F)F
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Product OPENEYE NAME: 4-bromo-N-[3-oxo-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]propyl]benzamide
CAS Name: 4-bromo-N-[3-oxo-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]propyl]benzamide
IUPAC NAME: 4-bromo-N-[3-oxo-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]propyl]benzamide
SYSTEMATIC NAME: 4-bromanyl-N-[3-oxidanylidene-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]propyl]benzamide
MOLECULAR FORMULA: C17H20BrF3N2O2
MOLECULAR WEIGHT: 421.25211
SMILES: C1C[C@@H](C[C@H](C1)NC(=O)CCNC(=O)C2=CC=C(C=C2)Br)C(F)(F)F
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Product OPENEYE NAME: 3,5-diacetamido-N-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-N-methyl-benzamide
CAS Name: 3,5-diacetamido-N-[[1-(difluoromethyl)-2-benzimidazolyl]methyl]-N-methylbenzamide
IUPAC NAME: 3,5-diacetamido-N-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-N-methylbenzamide
SYSTEMATIC NAME: 3,5-diacetamido-N-[[1-[bis(fluoranyl)methyl]benzimidazol-2-yl]methyl]-N-methyl-benzamide
MOLECULAR FORMULA: C21H21F2N5O3
MOLECULAR WEIGHT: 429.419946
SMILES: CC(=O)NC1=CC(=CC(=C1)C(=O)N(C)CC2=NC3=CC=CC=C3N2C(F)F)NC(=O)C
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