Sunday, October 28, 2012

All Chemical Compounds Information




Product OPENEYE NAME: methyl 5-[[5-tert-butyl-2-[(2,4,6-trimethylphenyl)methyl]pyrazole-3-carbonyl]amino]-2-morpholino-benzoate
CAS Name: 5-[[[5-tert-butyl-2-[(2,4,6-trimethylphenyl)methyl]-3-pyrazolyl]-oxomethyl]amino]-2-(4-morpholinyl)benzoic acid methyl ester
IUPAC NAME: methyl 5-[[5-tert-butyl-2-[(2,4,6-trimethylphenyl)methyl]pyrazole-3-carbonyl]amino]-2-morpholin-4-ylbenzoate
SYSTEMATIC NAME: methyl 5-[[5-tert-butyl-2-[(2,4,6-trimethylphenyl)methyl]pyrazol-3-yl]carbonylamino]-2-morpholin-4-yl-benzoate
MOLECULAR FORMULA: C30H38N4O4
MOLECULAR WEIGHT: 518.64712
SMILES: CC1=CC(=C(C(=C1)C)CN2C(=CC(=N2)C(C)(C)C)C(=O)NC3=CC(=C(C=C3)N4CCOCC4)C(=O)OC)C
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Product OPENEYE NAME: methyl 5-[[5-tert-butyl-2-[(4-fluorophenyl)methyl]pyrazole-3-carbonyl]amino]-2-morpholino-benzoate
CAS Name: 5-[[[5-tert-butyl-2-[(4-fluorophenyl)methyl]-3-pyrazolyl]-oxomethyl]amino]-2-(4-morpholinyl)benzoic acid methyl ester
IUPAC NAME: methyl 5-[[5-tert-butyl-2-[(4-fluorophenyl)methyl]pyrazole-3-carbonyl]amino]-2-morpholin-4-ylbenzoate
SYSTEMATIC NAME: methyl 5-[[5-tert-butyl-2-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbonylamino]-2-morpholin-4-yl-benzoate
MOLECULAR FORMULA: C27H31FN4O4
MOLECULAR WEIGHT: 494.557843
SMILES: CC(C)(C)C1=NN(C(=C1)C(=O)NC2=CC(=C(C=C2)N3CCOCC3)C(=O)OC)CC4=CC=C(C=C4)F
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Product OPENEYE NAME: methyl 5-[[5-tert-butyl-2-(m-tolylmethyl)pyrazole-3-carbonyl]amino]-2-morpholino-benzoate
CAS Name: 5-[[[5-tert-butyl-2-[(3-methylphenyl)methyl]-3-pyrazolyl]-oxomethyl]amino]-2-(4-morpholinyl)benzoic acid methyl ester
IUPAC NAME: methyl 5-[[5-tert-butyl-2-[(3-methylphenyl)methyl]pyrazole-3-carbonyl]amino]-2-morpholin-4-ylbenzoate
SYSTEMATIC NAME: methyl 5-[[5-tert-butyl-2-[(3-methylphenyl)methyl]pyrazol-3-yl]carbonylamino]-2-morpholin-4-yl-benzoate
MOLECULAR FORMULA: C28H34N4O4
MOLECULAR WEIGHT: 490.59396
SMILES: CC1=CC(=CC=C1)CN2C(=CC(=N2)C(C)(C)C)C(=O)NC3=CC(=C(C=C3)N4CCOCC4)C(=O)OC
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Product OPENEYE NAME: methyl 5-[(2-chloro-6-fluoro-benzoyl)amino]-2-morpholino-benzoate
CAS Name: 5-[[(2-chloro-6-fluorophenyl)-oxomethyl]amino]-2-(4-morpholinyl)benzoic acid methyl ester
IUPAC NAME: methyl 5-[(2-chloro-6-fluorobenzoyl)amino]-2-morpholin-4-ylbenzoate
SYSTEMATIC NAME: methyl 5-[(2-chloranyl-6-fluoranyl-phenyl)carbonylamino]-2-morpholin-4-yl-benzoate
MOLECULAR FORMULA: C19H18ClFN2O4
MOLECULAR WEIGHT: 392.808623
SMILES: COC(=O)C1=C(C=CC(=C1)NC(=O)C2=C(C=CC=C2Cl)F)N3CCOCC3
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Product OPENEYE NAME: methyl 5-[(2,6-dichlorobenzoyl)amino]-2-morpholino-benzoate
CAS Name: 5-[[(2,6-dichlorophenyl)-oxomethyl]amino]-2-(4-morpholinyl)benzoic acid methyl ester
IUPAC NAME: methyl 5-[(2,6-dichlorobenzoyl)amino]-2-morpholin-4-ylbenzoate
SYSTEMATIC NAME: methyl 5-[[2,6-bis(chloranyl)phenyl]carbonylamino]-2-morpholin-4-yl-benzoate
MOLECULAR FORMULA: C19H18Cl2N2O4
MOLECULAR WEIGHT: 409.26322
SMILES: COC(=O)C1=C(C=CC(=C1)NC(=O)C2=C(C=CC=C2Cl)Cl)N3CCOCC3
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Product OPENEYE NAME: methyl 5-[(2-fluorobenzoyl)amino]-2-morpholino-benzoate
CAS Name: 5-[[(2-fluorophenyl)-oxomethyl]amino]-2-(4-morpholinyl)benzoic acid methyl ester
IUPAC NAME: methyl 5-[(2-fluorobenzoyl)amino]-2-morpholin-4-ylbenzoate
SYSTEMATIC NAME: methyl 5-[(2-fluorophenyl)carbonylamino]-2-morpholin-4-yl-benzoate
MOLECULAR FORMULA: C19H19FN2O4
MOLECULAR WEIGHT: 358.363563
SMILES: COC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2F)N3CCOCC3
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Product OPENEYE NAME: 2-(4-benzhydrylpiperazin-1-yl)-1-[3-(trifluoromethyl)phenoxy]ethanol
CAS Name: 2-[4-(diphenylmethyl)-1-piperazinyl]-1-[3-(trifluoromethyl)phenoxy]ethanol
IUPAC NAME: 2-(4-benzhydrylpiperazin-1-yl)-1-[3-(trifluoromethyl)phenoxy]ethanol
SYSTEMATIC NAME: 2-[4-(diphenylmethyl)piperazin-1-yl]-1-[3-(trifluoromethyl)phenoxy]ethanol
MOLECULAR FORMULA: C26H27F3N2O2
MOLECULAR WEIGHT: 456.49999
SMILES: C1CN(CCN1CC(O)OC2=CC=CC(=C2)C(F)(F)F)C(C3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: 1-(1,3-benzodioxol-5-ylmethylamino)-3-phenoxy-propan-2-ol
CAS Name: 1-(1,3-benzodioxol-5-ylmethylamino)-3-phenoxy-2-propanol
IUPAC NAME: 1-(1,3-benzodioxol-5-ylmethylamino)-3-phenoxypropan-2-ol
SYSTEMATIC NAME: 1-(1,3-benzodioxol-5-ylmethylamino)-3-phenoxy-propan-2-ol
MOLECULAR FORMULA: C17H19NO4
MOLECULAR WEIGHT: 301.33706
SMILES: C1OC2=C(O1)C=C(C=C2)CNCC(COC3=CC=CC=C3)O
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Product OPENEYE NAME: 1-phenoxy-3-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]propan-2-ol
CAS Name: 1-phenoxy-3-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]-2-propanol
IUPAC NAME: 1-phenoxy-3-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]propan-2-ol
SYSTEMATIC NAME: 1-phenoxy-3-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]propan-2-ol
MOLECULAR FORMULA: C19H22F3N3O2
MOLECULAR WEIGHT: 381.39209
SMILES: C1CN(CCN1CC(COC2=CC=CC=C2)O)C3=NC=C(C=C3)C(F)(F)F
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Product OPENEYE NAME: 1-(benzofuran-2-yl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-ethanone
CAS Name: 1-(2-benzofuranyl)-2-[[1-(4-hydroxyphenyl)-5-tetrazolyl]thio]ethanone
IUPAC NAME: 1-(1-benzofuran-2-yl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylethanone
SYSTEMATIC NAME: 1-(1-benzofuran-2-yl)-2-[[1-(4-hydroxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanone
MOLECULAR FORMULA: C17H12N4O3S
MOLECULAR WEIGHT: 352.36718
SMILES: C1=CC=C2C(=C1)C=C(O2)C(=O)CSC3=NN=NN3C4=CC=C(C=C4)O
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Product OPENEYE NAME: 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylindan-1-one
CAS Name: 2-[[1-(4-hydroxyphenyl)-5-tetrazolyl]thio]-2,3-dihydroinden-1-one
IUPAC NAME: 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-2,3-dihydroinden-1-one
SYSTEMATIC NAME: 2-[[1-(4-hydroxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-2,3-dihydroinden-1-one
MOLECULAR FORMULA: C16H12N4O2S
MOLECULAR WEIGHT: 324.35708
SMILES: C1C(C(=O)C2=CC=CC=C21)SC3=NN=NN3C4=CC=C(C=C4)O
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Product OPENEYE NAME: 4-[5-[(3,5-difluorophenyl)methylsulfanyl]tetrazol-1-yl]phenol
CAS Name: 4-[5-[(3,5-difluorophenyl)methylthio]-1-tetrazolyl]phenol
IUPAC NAME: 4-[5-[(3,5-difluorophenyl)methylsulfanyl]tetrazol-1-yl]phenol
SYSTEMATIC NAME: 4-[5-[[3,5-bis(fluoranyl)phenyl]methylsulfanyl]-1,2,3,4-tetrazol-1-yl]phenol
MOLECULAR FORMULA: C14H10F2N4OS
MOLECULAR WEIGHT: 320.317206
SMILES: C1=CC(=CC=C1N2C(=NN=N2)SCC3=CC(=CC(=C3)F)F)O
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Product OPENEYE NAME: 4-[5-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]tetrazol-1-yl]phenol
CAS Name: 4-[5-[[4-(trifluoromethoxy)phenyl]methylthio]-1-tetrazolyl]phenol
IUPAC NAME: 4-[5-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]tetrazol-1-yl]phenol
SYSTEMATIC NAME: 4-[5-[[4-(trifluoromethyloxy)phenyl]methylsulfanyl]-1,2,3,4-tetrazol-1-yl]phenol
MOLECULAR FORMULA: C15H11F3N4O2S
MOLECULAR WEIGHT: 368.33365
SMILES: C1=CC(=CC=C1CSC2=NN=NN2C3=CC=C(C=C3)O)OC(F)(F)F
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Product OPENEYE NAME: 1-(1,3-benzodioxol-5-ylmethylamino)-3-(2-bromo-4-chloro-6-methyl-phenoxy)propan-2-ol
CAS Name: 1-(1,3-benzodioxol-5-ylmethylamino)-3-(2-bromo-4-chloro-6-methylphenoxy)-2-propanol
IUPAC NAME: 1-(1,3-benzodioxol-5-ylmethylamino)-3-(2-bromo-4-chloro-6-methylphenoxy)propan-2-ol
SYSTEMATIC NAME: 1-(1,3-benzodioxol-5-ylmethylamino)-3-(2-bromanyl-4-chloranyl-6-methyl-phenoxy)propan-2-ol
MOLECULAR FORMULA: C18H19BrClNO4
MOLECULAR WEIGHT: 428.70476
SMILES: CC1=CC(=CC(=C1OCC(CNCC2=CC3=C(C=C2)OCO3)O)Br)Cl
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Product OPENEYE NAME: 1-[3-(2-bromo-4-chloro-6-methyl-phenoxy)-2-hydroxy-propyl]piperidine-4-carboxamide
CAS Name: 1-[3-(2-bromo-4-chloro-6-methylphenoxy)-2-hydroxypropyl]-4-piperidinecarboxamide
IUPAC NAME: 1-[3-(2-bromo-4-chloro-6-methylphenoxy)-2-hydroxypropyl]piperidine-4-carboxamide
SYSTEMATIC NAME: 1-[3-(2-bromanyl-4-chloranyl-6-methyl-phenoxy)-2-oxidanyl-propyl]piperidine-4-carboxamide
MOLECULAR FORMULA: C16H22BrClN2O3
MOLECULAR WEIGHT: 405.71448
SMILES: CC1=CC(=CC(=C1OCC(CN2CCC(CC2)C(=O)N)O)Br)Cl
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Product OPENEYE NAME: 1-(2-bromo-4-chloro-6-methyl-phenoxy)-3-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]propan-2-ol
CAS Name: 1-(2-bromo-4-chloro-6-methylphenoxy)-3-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]-2-propanol
IUPAC NAME: 1-(2-bromo-4-chloro-6-methylphenoxy)-3-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]propan-2-ol
SYSTEMATIC NAME: 1-(2-bromanyl-4-chloranyl-6-methyl-phenoxy)-3-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]propan-2-ol
MOLECULAR FORMULA: C20H22BrClF3N3O2
MOLECULAR WEIGHT: 508.75979
SMILES: CC1=CC(=CC(=C1OCC(CN2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F)O)Br)Cl
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Product OPENEYE NAME: 1-[3-(4-fluorophenyl)sulfanyl-2-hydroxy-propyl]piperidine-4-carboxamide
CAS Name: 1-[3-[(4-fluorophenyl)thio]-2-hydroxypropyl]-4-piperidinecarboxamide
IUPAC NAME: 1-[3-(4-fluorophenyl)sulfanyl-2-hydroxypropyl]piperidine-4-carboxamide
SYSTEMATIC NAME: 1-[3-(4-fluorophenyl)sulfanyl-2-oxidanyl-propyl]piperidine-4-carboxamide
MOLECULAR FORMULA: C15H21FN2O2S
MOLECULAR WEIGHT: 312.402843
SMILES: C1CN(CCC1C(=O)N)CC(CSC2=CC=C(C=C2)F)O
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Product OPENEYE NAME: 1-(4-fluorophenyl)sulfanyl-3-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]propan-2-ol
CAS Name: 1-[(4-fluorophenyl)thio]-3-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]-2-propanol
IUPAC NAME: 1-(4-fluorophenyl)sulfanyl-3-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]propan-2-ol
SYSTEMATIC NAME: 1-(4-fluorophenyl)sulfanyl-3-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]propan-2-ol
MOLECULAR FORMULA: C19H21F4N3OS
MOLECULAR WEIGHT: 415.448153
SMILES: C1CN(CCN1CC(CSC2=CC=C(C=C2)F)O)C3=NC=C(C=C3)C(F)(F)F
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Product OPENEYE NAME: 1-(4-benzhydrylpiperazin-1-yl)-3-(4-fluorophenyl)sulfanyl-propan-2-ol
CAS Name: 1-[4-(diphenylmethyl)-1-piperazinyl]-3-[(4-fluorophenyl)thio]-2-propanol
IUPAC NAME: 1-(4-benzhydrylpiperazin-1-yl)-3-(4-fluorophenyl)sulfanylpropan-2-ol
SYSTEMATIC NAME: 1-[4-(diphenylmethyl)piperazin-1-yl]-3-(4-fluorophenyl)sulfanyl-propan-2-ol
MOLECULAR FORMULA: C26H29FN2OS
MOLECULAR WEIGHT: 436.584663
SMILES: C1CN(CCN1CC(CSC2=CC=C(C=C2)F)O)C(C3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: 1-(1,3-benzodioxol-5-ylmethylamino)-3-(2-thienylsulfanyl)propan-2-ol
CAS Name: 1-(1,3-benzodioxol-5-ylmethylamino)-3-(thiophen-2-ylthio)-2-propanol
IUPAC NAME: 1-(1,3-benzodioxol-5-ylmethylamino)-3-thiophen-2-ylsulfanylpropan-2-ol
SYSTEMATIC NAME: 1-(1,3-benzodioxol-5-ylmethylamino)-3-thiophen-2-ylsulfanyl-propan-2-ol
MOLECULAR FORMULA: C15H17NO3S2
MOLECULAR WEIGHT: 323.43038
SMILES: C1OC2=C(O1)C=C(C=C2)CNCC(CSC3=CC=CS3)O
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