Thursday, November 29, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 3-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]pyrazine-2-carbonitrile
CAS Name: 3-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]-2-pyrazinecarbonitrile
IUPAC NAME: 3-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyrazine-2-carbonitrile
SYSTEMATIC NAME: 3-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyrazine-2-carbonitrile
MOLECULAR FORMULA: C15H13F3N6
MOLECULAR WEIGHT: 334.29913
SMILES: C1CN(CCN1C2=NC=C(C=C2)C(F)(F)F)C3=NC=CN=C3C#N
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Product OPENEYE NAME: 2-(1-methylimidazol-2-yl)sulfanyl-1-(4-pyrrol-1-yl-1-piperidyl)ethanone
CAS Name: 2-[(1-methyl-2-imidazolyl)thio]-1-[4-(1-pyrrolyl)-1-piperidinyl]ethanone
IUPAC NAME: 2-(1-methylimidazol-2-yl)sulfanyl-1-(4-pyrrol-1-ylpiperidin-1-yl)ethanone
SYSTEMATIC NAME: 2-(1-methylimidazol-2-yl)sulfanyl-1-(4-pyrrol-1-ylpiperidin-1-yl)ethanone
MOLECULAR FORMULA: C15H20N4OS
MOLECULAR WEIGHT: 304.4105
SMILES: CN1C=CN=C1SCC(=O)N2CCC(CC2)N3C=CC=C3
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Product OPENEYE NAME: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-pyrrol-1-yl-1-piperidyl)ethanone
CAS Name: 2-(1,3-benzoxazol-2-ylthio)-1-[4-(1-pyrrolyl)-1-piperidinyl]ethanone
IUPAC NAME: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-pyrrol-1-ylpiperidin-1-yl)ethanone
SYSTEMATIC NAME: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-pyrrol-1-ylpiperidin-1-yl)ethanone
MOLECULAR FORMULA: C18H19N3O2S
MOLECULAR WEIGHT: 341.42736
SMILES: C1CN(CCC1N2C=CC=C2)C(=O)CSC3=NC4=CC=CC=C4O3
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Product OPENEYE NAME: 3-[(1-benzhydrylazetidin-3-yl)sulfanylmethyl]-4-methyl-1H-1,2,4-triazole-5-thione
CAS Name: 3-[[[1-(diphenylmethyl)-3-azetidinyl]thio]methyl]-4-methyl-1H-1,2,4-triazole-5-thione
IUPAC NAME: 3-[(1-benzhydrylazetidin-3-yl)sulfanylmethyl]-4-methyl-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 3-[[1-(diphenylmethyl)azetidin-3-yl]sulfanylmethyl]-4-methyl-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C20H22N4S2
MOLECULAR WEIGHT: 382.54548
SMILES: CN1C(=NNC1=S)CSC2CN(C2)C(C3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: 3-phenyl-N-[4-(trifluoromethoxy)phenyl]cinnoline-4-carboxamide
CAS Name: 3-phenyl-N-[4-(trifluoromethoxy)phenyl]-4-cinnolinecarboxamide
IUPAC NAME: 3-phenyl-N-[4-(trifluoromethoxy)phenyl]cinnoline-4-carboxamide
SYSTEMATIC NAME: 3-phenyl-N-[4-(trifluoromethyloxy)phenyl]cinnoline-4-carboxamide
MOLECULAR FORMULA: C22H14F3N3O2
MOLECULAR WEIGHT: 409.36067
SMILES: C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N=N2)C(=O)NC4=CC=C(C=C4)OC(F)(F)F
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Product OPENEYE NAME: (4-chlorophenyl) 3-phenylcinnoline-4-carboxylate
CAS Name: 3-phenyl-4-cinnolinecarboxylic acid (4-chlorophenyl) ester
IUPAC NAME: (4-chlorophenyl) 3-phenylcinnoline-4-carboxylate
SYSTEMATIC NAME: (4-chlorophenyl) 3-phenylcinnoline-4-carboxylate
MOLECULAR FORMULA: C21H13ClN2O2
MOLECULAR WEIGHT: 360.79312
SMILES: C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N=N2)C(=O)OC4=CC=C(C=C4)Cl
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Product OPENEYE NAME: 1-propyl-3-[4-(trifluoromethoxy)phenyl]urea
CAS Name: 1-propyl-3-[4-(trifluoromethoxy)phenyl]urea
IUPAC NAME: 1-propyl-3-[4-(trifluoromethoxy)phenyl]urea
SYSTEMATIC NAME: 1-propyl-3-[4-(trifluoromethyloxy)phenyl]urea
MOLECULAR FORMULA: C11H13F3N2O2
MOLECULAR WEIGHT: 262.22833
SMILES: CCCNC(=O)NC1=CC=C(C=C1)OC(F)(F)F
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Product OPENEYE NAME: phenyl 3-phenylcinnoline-4-carboxylate
CAS Name: 3-phenyl-4-cinnolinecarboxylic acid phenyl ester
IUPAC NAME: phenyl 3-phenylcinnoline-4-carboxylate
SYSTEMATIC NAME: phenyl 3-phenylcinnoline-4-carboxylate
MOLECULAR FORMULA: C21H14N2O2
MOLECULAR WEIGHT: 326.34806
SMILES: C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N=N2)C(=O)OC4=CC=CC=C4
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Product OPENEYE NAME: [3-(trifluoromethyl)phenyl] 3-phenylcinnoline-4-carboxylate
CAS Name: 3-phenyl-4-cinnolinecarboxylic acid [3-(trifluoromethyl)phenyl] ester
IUPAC NAME: [3-(trifluoromethyl)phenyl] 3-phenylcinnoline-4-carboxylate
SYSTEMATIC NAME: [3-(trifluoromethyl)phenyl] 3-phenylcinnoline-4-carboxylate
MOLECULAR FORMULA: C22H13F3N2O2
MOLECULAR WEIGHT: 394.34603
SMILES: C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N=N2)C(=O)OC4=CC=CC(=C4)C(F)(F)F
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Product OPENEYE NAME: N-(3,5-dimethoxyphenyl)-3-phenyl-cinnoline-4-carboxamide
CAS Name: N-(3,5-dimethoxyphenyl)-3-phenyl-4-cinnolinecarboxamide
IUPAC NAME: N-(3,5-dimethoxyphenyl)-3-phenylcinnoline-4-carboxamide
SYSTEMATIC NAME: N-(3,5-dimethoxyphenyl)-3-phenyl-cinnoline-4-carboxamide
MOLECULAR FORMULA: C23H19N3O3
MOLECULAR WEIGHT: 385.41526
SMILES: COC1=CC(=CC(=C1)NC(=O)C2=C(N=NC3=CC=CC=C32)C4=CC=CC=C4)OC
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Product OPENEYE NAME: N-(4-isopropylphenyl)-3-phenyl-cinnoline-4-carboxamide
CAS Name: 3-phenyl-N-(4-propan-2-ylphenyl)-4-cinnolinecarboxamide
IUPAC NAME: 3-phenyl-N-(4-propan-2-ylphenyl)cinnoline-4-carboxamide
SYSTEMATIC NAME: 3-phenyl-N-(4-propan-2-ylphenyl)cinnoline-4-carboxamide
MOLECULAR FORMULA: C24H21N3O
MOLECULAR WEIGHT: 367.44304
SMILES: CC(C)C1=CC=C(C=C1)NC(=O)C2=C(N=NC3=CC=CC=C32)C4=CC=CC=C4
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Product OPENEYE NAME: N-(3-fluoro-4-methyl-phenyl)-3-phenyl-cinnoline-4-carboxamide
CAS Name: N-(3-fluoro-4-methylphenyl)-3-phenyl-4-cinnolinecarboxamide
IUPAC NAME: N-(3-fluoro-4-methylphenyl)-3-phenylcinnoline-4-carboxamide
SYSTEMATIC NAME: N-(3-fluoranyl-4-methyl-phenyl)-3-phenyl-cinnoline-4-carboxamide
MOLECULAR FORMULA: C22H16FN3O
MOLECULAR WEIGHT: 357.380343
SMILES: CC1=C(C=C(C=C1)NC(=O)C2=C(N=NC3=CC=CC=C32)C4=CC=CC=C4)F
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Product OPENEYE NAME: 2-tert-butyl-7-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CAS Name: 2-tert-butyl-7-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
IUPAC NAME: 2-tert-butyl-7-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SYSTEMATIC NAME: 2-tert-butyl-7-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
MOLECULAR FORMULA: C21H23ClF3N5O2S
MOLECULAR WEIGHT: 501.95283
SMILES: CC(C)(C)C1=NN2C(=C1)N=C(C=C2N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl)C(F)(F)F
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Product OPENEYE NAME: 2-[2-[2-[(4-chlorophenyl)methylene]hydrazino]-2-oxo-ethyl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide
CAS Name: 2-[[2-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]thio]-N-[4-(trifluoromethoxy)phenyl]acetamide
IUPAC NAME: 2-[2-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide
SYSTEMATIC NAME: 2-[2-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxidanylidene-ethyl]sulfanyl-N-[4-(trifluoromethyloxy)phenyl]ethanamide
MOLECULAR FORMULA: C18H15ClF3N3O3S
MOLECULAR WEIGHT: 445.84321
SMILES: C1=CC(=CC=C1C=NNC(=O)CSCC(=O)NC2=CC=C(C=C2)OC(F)(F)F)Cl
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Product OPENEYE NAME: 2-[2-[2-[(3-methoxyphenyl)methylene]hydrazino]-2-oxo-ethyl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide
CAS Name: 2-[[2-[2-[(3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]thio]-N-[4-(trifluoromethoxy)phenyl]acetamide
IUPAC NAME: 2-[2-[2-[(3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide
SYSTEMATIC NAME: 2-[2-[2-[(3-methoxyphenyl)methylidene]hydrazinyl]-2-oxidanylidene-ethyl]sulfanyl-N-[4-(trifluoromethyloxy)phenyl]ethanamide
MOLECULAR FORMULA: C19H18F3N3O4S
MOLECULAR WEIGHT: 441.42413
SMILES: COC1=CC=CC(=C1)C=NNC(=O)CSCC(=O)NC2=CC=C(C=C2)OC(F)(F)F
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Product OPENEYE NAME: 2-[2-oxo-2-[2-(phenylcarbamothioyl)hydrazino]ethyl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide
CAS Name: 2-[[2-[[anilino(sulfanylidene)methyl]hydrazo]-2-oxoethyl]thio]-N-[4-(trifluoromethoxy)phenyl]acetamide
IUPAC NAME: 2-[2-oxo-2-[2-(phenylcarbamothioyl)hydrazinyl]ethyl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide
SYSTEMATIC NAME: 2-[2-oxidanylidene-2-[2-(phenylcarbamothioyl)hydrazinyl]ethyl]sulfanyl-N-[4-(trifluoromethyloxy)phenyl]ethanamide
MOLECULAR FORMULA: C18H17F3N4O3S2
MOLECULAR WEIGHT: 458.47779
SMILES: C1=CC=C(C=C1)NC(=S)NNC(=O)CSCC(=O)NC2=CC=C(C=C2)OC(F)(F)F
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Product OPENEYE NAME: 2-[2-[2-[(4-chlorophenyl)carbamothioyl]hydrazino]-2-oxo-ethyl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide
CAS Name: 2-[[2-[[(4-chloroanilino)-sulfanylidenemethyl]hydrazo]-2-oxoethyl]thio]-N-[4-(trifluoromethoxy)phenyl]acetamide
IUPAC NAME: 2-[2-[2-[(4-chlorophenyl)carbamothioyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide
SYSTEMATIC NAME: 2-[2-[2-[(4-chlorophenyl)carbamothioyl]hydrazinyl]-2-oxidanylidene-ethyl]sulfanyl-N-[4-(trifluoromethyloxy)phenyl]ethanamide
MOLECULAR FORMULA: C18H16ClF3N4O3S2
MOLECULAR WEIGHT: 492.92285
SMILES: C1=CC(=CC=C1NC(=O)CSCC(=O)NNC(=S)NC2=CC=C(C=C2)Cl)OC(F)(F)F
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Product OPENEYE NAME: 2-[2-[2-[(4-methoxyphenyl)carbamothioyl]hydrazino]-2-oxo-ethyl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide
CAS Name: 2-[[2-[[(4-methoxyanilino)-sulfanylidenemethyl]hydrazo]-2-oxoethyl]thio]-N-[4-(trifluoromethoxy)phenyl]acetamide
IUPAC NAME: 2-[2-[2-[(4-methoxyphenyl)carbamothioyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide
SYSTEMATIC NAME: 2-[2-[2-[(4-methoxyphenyl)carbamothioyl]hydrazinyl]-2-oxidanylidene-ethyl]sulfanyl-N-[4-(trifluoromethyloxy)phenyl]ethanamide
MOLECULAR FORMULA: C19H19F3N4O4S2
MOLECULAR WEIGHT: 488.50377
SMILES: COC1=CC=C(C=C1)NC(=S)NNC(=O)CSCC(=O)NC2=CC=C(C=C2)OC(F)(F)F
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Product OPENEYE NAME: 2-[2-oxo-2-[2-[[2-(trifluoromethyl)phenyl]carbamothioyl]hydrazino]ethyl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide
CAS Name: 2-[[2-oxo-2-[[sulfanylidene-[2-(trifluoromethyl)anilino]methyl]hydrazo]ethyl]thio]-N-[4-(trifluoromethoxy)phenyl]acetamide
IUPAC NAME: 2-[2-oxo-2-[2-[[2-(trifluoromethyl)phenyl]carbamothioyl]hydrazinyl]ethyl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide
SYSTEMATIC NAME: 2-[2-oxidanylidene-2-[2-[[2-(trifluoromethyl)phenyl]carbamothioyl]hydrazinyl]ethyl]sulfanyl-N-[4-(trifluoromethyloxy)phenyl]ethanamide
MOLECULAR FORMULA: C19H16F6N4O3S2
MOLECULAR WEIGHT: 526.475759
SMILES: C1=CC=C(C(=C1)C(F)(F)F)NC(=S)NNC(=O)CSCC(=O)NC2=CC=C(C=C2)OC(F)(F)F
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Product OPENEYE NAME: [4-[2-tert-butyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(4-chlorophenyl)methanone
CAS Name: [4-[2-tert-butyl-5-(trifluoromethyl)-7-pyrazolo[1,5-a]pyrimidinyl]-1-piperazinyl]-(4-chlorophenyl)methanone
IUPAC NAME: [4-[2-tert-butyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(4-chlorophenyl)methanone
SYSTEMATIC NAME: [4-[2-tert-butyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(4-chlorophenyl)methanone
MOLECULAR FORMULA: C22H23ClF3N5O
MOLECULAR WEIGHT: 465.89913
SMILES: CC(C)(C)C1=NN2C(=C1)N=C(C=C2N3CCN(CC3)C(=O)C4=CC=C(C=C4)Cl)C(F)(F)F
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Product OPENEYE NAME: 7-[4-(benzenesulfonyl)piperazin-1-yl]-2-tert-butyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CAS Name: 7-[4-(benzenesulfonyl)-1-piperazinyl]-2-tert-butyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
IUPAC NAME: 7-[4-(benzenesulfonyl)piperazin-1-yl]-2-tert-butyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SYSTEMATIC NAME: 2-tert-butyl-7-[4-(phenylsulfonyl)piperazin-1-yl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
MOLECULAR FORMULA: C21H24F3N5O2S
MOLECULAR WEIGHT: 467.50777
SMILES: CC(C)(C)C1=NN2C(=C1)N=C(C=C2N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)C(F)(F)F
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Product OPENEYE NAME: 2-tert-butyl-5-(trifluoromethyl)-7-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrazolo[1,5-a]pyrimidine
CAS Name: 2-tert-butyl-5-(trifluoromethyl)-7-[4-[4-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]pyrazolo[1,5-a]pyrimidine
IUPAC NAME: 2-tert-butyl-5-(trifluoromethyl)-7-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrazolo[1,5-a]pyrimidine
SYSTEMATIC NAME: 2-tert-butyl-5-(trifluoromethyl)-7-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrazolo[1,5-a]pyrimidine
MOLECULAR FORMULA: C22H23F6N5O2S
MOLECULAR WEIGHT: 535.505739
SMILES: CC(C)(C)C1=NN2C(=C1)N=C(C=C2N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(F)(F)F)C(F)(F)F
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Product OPENEYE NAME: 2-tert-butyl-5-(trifluoromethyl)-7-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
CAS Name: 2-tert-butyl-5-(trifluoromethyl)-7-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]pyrazolo[1,5-a]pyrimidine
IUPAC NAME: 2-tert-butyl-5-(trifluoromethyl)-7-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
SYSTEMATIC NAME: 2-tert-butyl-5-(trifluoromethyl)-7-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
MOLECULAR FORMULA: C21H22F6N6
MOLECULAR WEIGHT: 472.429999
SMILES: CC(C)(C)C1=NN2C(=C1)N=C(C=C2N3CCN(CC3)C4=NC=C(C=C4)C(F)(F)F)C(F)(F)F
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Product OPENEYE NAME: 6-amino-3-propyl-1-[4-(trifluoromethoxy)phenyl]pyrimidine-2,4-dione
CAS Name: 6-amino-3-propyl-1-[4-(trifluoromethoxy)phenyl]pyrimidine-2,4-dione
IUPAC NAME: 6-amino-3-propyl-1-[4-(trifluoromethoxy)phenyl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 6-azanyl-3-propyl-1-[4-(trifluoromethyloxy)phenyl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C14H14F3N3O3
MOLECULAR WEIGHT: 329.27447
SMILES: CCCN1C(=O)C=C(N(C1=O)C2=CC=C(C=C2)OC(F)(F)F)N
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