Tuesday, October 30, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 1-(1,3-benzodioxol-5-yl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanyl-ethanone
CAS Name: 1-(1,3-benzodioxol-5-yl)-2-[[1-(2,4,6-trimethylphenyl)-5-tetrazolyl]thio]ethanone
IUPAC NAME: 1-(1,3-benzodioxol-5-yl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylethanone
SYSTEMATIC NAME: 1-(1,3-benzodioxol-5-yl)-2-[[1-(2,4,6-trimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanone
MOLECULAR FORMULA: C19H18N4O3S
MOLECULAR WEIGHT: 382.43622
SMILES: CC1=CC(=C(C(=C1)C)N2C(=NN=N2)SCC(=O)C3=CC4=C(C=C3)OCO4)C
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Product OPENEYE NAME: 1-(3-nitrophenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanyl-ethanone
CAS Name: 1-(3-nitrophenyl)-2-[[1-(2,4,6-trimethylphenyl)-5-tetrazolyl]thio]ethanone
IUPAC NAME: 1-(3-nitrophenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylethanone
SYSTEMATIC NAME: 1-(3-nitrophenyl)-2-[[1-(2,4,6-trimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanone
MOLECULAR FORMULA: C18H17N5O3S
MOLECULAR WEIGHT: 383.42428
SMILES: CC1=CC(=C(C(=C1)C)N2C(=NN=N2)SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C
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Product OPENEYE NAME: N-(4-isopropylphenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanyl-acetamide
CAS Name: N-(4-propan-2-ylphenyl)-2-[[1-(2,4,6-trimethylphenyl)-5-tetrazolyl]thio]acetamide
IUPAC NAME: N-(4-propan-2-ylphenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide
SYSTEMATIC NAME: N-(4-propan-2-ylphenyl)-2-[[1-(2,4,6-trimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanamide
MOLECULAR FORMULA: C21H25N5OS
MOLECULAR WEIGHT: 395.5211
SMILES: CC1=CC(=C(C(=C1)C)N2C(=NN=N2)SCC(=O)NC3=CC=C(C=C3)C(C)C)C
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Product OPENEYE NAME: N-(2-chlorophenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanyl-acetamide
CAS Name: N-(2-chlorophenyl)-2-[[1-(2,4,6-trimethylphenyl)-5-tetrazolyl]thio]acetamide
IUPAC NAME: N-(2-chlorophenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide
SYSTEMATIC NAME: N-(2-chlorophenyl)-2-[[1-(2,4,6-trimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanamide
MOLECULAR FORMULA: C18H18ClN5OS
MOLECULAR WEIGHT: 387.88642
SMILES: CC1=CC(=C(C(=C1)C)N2C(=NN=N2)SCC(=O)NC3=CC=CC=C3Cl)C
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Product OPENEYE NAME: N-[4-(trifluoromethyl)phenyl]-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanyl-acetamide
CAS Name: N-[4-(trifluoromethyl)phenyl]-2-[[1-(2,4,6-trimethylphenyl)-5-tetrazolyl]thio]acetamide
IUPAC NAME: N-[4-(trifluoromethyl)phenyl]-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide
SYSTEMATIC NAME: N-[4-(trifluoromethyl)phenyl]-2-[[1-(2,4,6-trimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanamide
MOLECULAR FORMULA: C19H18F3N5OS
MOLECULAR WEIGHT: 421.43933
SMILES: CC1=CC(=C(C(=C1)C)N2C(=NN=N2)SCC(=O)NC3=CC=C(C=C3)C(F)(F)F)C
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Product OPENEYE NAME: 1-[3,5-bis(trifluoromethyl)phenyl]-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanyl-ethanone
CAS Name: 1-[3,5-bis(trifluoromethyl)phenyl]-2-[[1-(2,4,6-trimethylphenyl)-5-tetrazolyl]thio]ethanone
IUPAC NAME: 1-[3,5-bis(trifluoromethyl)phenyl]-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylethanone
SYSTEMATIC NAME: 1-[3,5-bis(trifluoromethyl)phenyl]-2-[[1-(2,4,6-trimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanone
MOLECULAR FORMULA: C20H16F6N4OS
MOLECULAR WEIGHT: 474.422659
SMILES: CC1=CC(=C(C(=C1)C)N2C(=NN=N2)SCC(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C
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Product OPENEYE NAME: 2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylindan-1-one
CAS Name: 2-[[1-(2,4,6-trimethylphenyl)-5-tetrazolyl]thio]-2,3-dihydroinden-1-one
IUPAC NAME: 2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanyl-2,3-dihydroinden-1-one
SYSTEMATIC NAME: 2-[[1-(2,4,6-trimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-2,3-dihydroinden-1-one
MOLECULAR FORMULA: C19H18N4OS
MOLECULAR WEIGHT: 350.43742
SMILES: CC1=CC(=C(C(=C1)C)N2C(=NN=N2)SC3CC4=CC=CC=C4C3=O)C
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Product OPENEYE NAME: 1-(benzofuran-2-yl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanyl-ethanone
CAS Name: 1-(2-benzofuranyl)-2-[[1-(2,4,6-trimethylphenyl)-5-tetrazolyl]thio]ethanone
IUPAC NAME: 1-(1-benzofuran-2-yl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylethanone
SYSTEMATIC NAME: 1-(1-benzofuran-2-yl)-2-[[1-(2,4,6-trimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanone
MOLECULAR FORMULA: C20H18N4O2S
MOLECULAR WEIGHT: 378.44752
SMILES: CC1=CC(=C(C(=C1)C)N2C(=NN=N2)SCC(=O)C3=CC4=CC=CC=C4O3)C
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Product OPENEYE NAME: N-(3-oxazol-5-ylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CAS Name: N-[3-(5-oxazolyl)phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide
IUPAC NAME: N-[3-(1,3-oxazol-5-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SYSTEMATIC NAME: N-[3-(1,3-oxazol-5-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
MOLECULAR FORMULA: C18H14N2O4
MOLECULAR WEIGHT: 322.31476
SMILES: C1C(OC2=CC=CC=C2O1)C(=O)NC3=CC=CC(=C3)C4=CN=CO4
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Product OPENEYE NAME: N-(3-oxazol-5-ylphenyl)-4-(trifluoromethyl)benzamide
CAS Name: N-[3-(5-oxazolyl)phenyl]-4-(trifluoromethyl)benzamide
IUPAC NAME: N-[3-(1,3-oxazol-5-yl)phenyl]-4-(trifluoromethyl)benzamide
SYSTEMATIC NAME: N-[3-(1,3-oxazol-5-yl)phenyl]-4-(trifluoromethyl)benzamide
MOLECULAR FORMULA: C17H11F3N2O2
MOLECULAR WEIGHT: 332.27665
SMILES: C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)C(F)(F)F)C3=CN=CO3
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Product OPENEYE NAME: 2-(2-furylmethylene)propanediamide
CAS Name: 2-(2-furanylmethylidene)propanediamide
IUPAC NAME: 2-(furan-2-ylmethylidene)propanediamide
SYSTEMATIC NAME: 2-(furan-2-ylmethylidene)propanediamide
MOLECULAR FORMULA: C8H8N2O3
MOLECULAR WEIGHT: 180.16072
SMILES: C1=COC(=C1)C=C(C(=O)N)C(=O)N
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Product OPENEYE NAME: 2-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-quinazolin-4-one
CAS Name: 2-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-quinazolin-4-one
IUPAC NAME: 2-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-quinazolin-4-one
SYSTEMATIC NAME: 2-[4-(trifluoromethyloxy)phenyl]-2,3-dihydro-1H-quinazolin-4-one
MOLECULAR FORMULA: C15H11F3N2O2
MOLECULAR WEIGHT: 308.25525
SMILES: C1=CC=C2C(=C1)C(=O)NC(N2)C3=CC=C(C=C3)OC(F)(F)F
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Product OPENEYE NAME: 2-(3-hydroxy-4-methoxy-phenyl)-2,3-dihydro-1H-quinazolin-4-one
CAS Name: 2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
IUPAC NAME: 2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
SYSTEMATIC NAME: 2-(4-methoxy-3-oxidanyl-phenyl)-2,3-dihydro-1H-quinazolin-4-one
MOLECULAR FORMULA: C15H14N2O3
MOLECULAR WEIGHT: 270.28326
SMILES: COC1=C(C=C(C=C1)C2NC3=CC=CC=C3C(=O)N2)O
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Product OPENEYE NAME: 1-[(2,5-dichloro-3-thienyl)sulfonyl]-4-(2-phenylethyl)piperazine
CAS Name: 1-[(2,5-dichloro-3-thiophenyl)sulfonyl]-4-(2-phenylethyl)piperazine
IUPAC NAME: 1-(2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-phenylethyl)piperazine
SYSTEMATIC NAME: 1-[2,5-bis(chloranyl)thiophen-3-yl]sulfonyl-4-(2-phenylethyl)piperazine
MOLECULAR FORMULA: C16H18Cl2N2O2S2
MOLECULAR WEIGHT: 405.36232
SMILES: C1CN(CCN1CCC2=CC=CC=C2)S(=O)(=O)C3=C(SC(=C3)Cl)Cl
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Product OPENEYE NAME: 1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-thienyl]sulfonyl]-4-(2-phenylethyl)piperazine
CAS Name: 1-[[5-[1-methyl-5-(trifluoromethyl)-3-pyrazolyl]-2-thiophenyl]sulfonyl]-4-(2-phenylethyl)piperazine
IUPAC NAME: 1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonyl-4-(2-phenylethyl)piperazine
SYSTEMATIC NAME: 1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonyl-4-(2-phenylethyl)piperazine
MOLECULAR FORMULA: C21H23F3N4O2S2
MOLECULAR WEIGHT: 484.55813
SMILES: CN1C(=CC(=N1)C2=CC=C(S2)S(=O)(=O)N3CCN(CC3)CCC4=CC=CC=C4)C(F)(F)F
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Product OPENEYE NAME: N-(2-methoxyphenyl)-4-(2-phenylethyl)piperazine-1-carboxamide
CAS Name: N-(2-methoxyphenyl)-4-(2-phenylethyl)-1-piperazinecarboxamide
IUPAC NAME: N-(2-methoxyphenyl)-4-(2-phenylethyl)piperazine-1-carboxamide
SYSTEMATIC NAME: N-(2-methoxyphenyl)-4-(2-phenylethyl)piperazine-1-carboxamide
MOLECULAR FORMULA: C20H25N3O2
MOLECULAR WEIGHT: 339.4314
SMILES: COC1=CC=CC=C1NC(=O)N2CCN(CC2)CCC3=CC=CC=C3
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Product OPENEYE NAME: N-(4-fluorophenyl)-4-(2-phenylethyl)piperazine-1-carboxamide
CAS Name: N-(4-fluorophenyl)-4-(2-phenylethyl)-1-piperazinecarboxamide
IUPAC NAME: N-(4-fluorophenyl)-4-(2-phenylethyl)piperazine-1-carboxamide
SYSTEMATIC NAME: N-(4-fluorophenyl)-4-(2-phenylethyl)piperazine-1-carboxamide
MOLECULAR FORMULA: C19H22FN3O
MOLECULAR WEIGHT: 327.395883
SMILES: C1CN(CCN1CCC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)F
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Product OPENEYE NAME: 4-(2-phenylethyl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CAS Name: 4-(2-phenylethyl)-N-[4-(trifluoromethoxy)phenyl]-1-piperazinecarboxamide
IUPAC NAME: 4-(2-phenylethyl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
SYSTEMATIC NAME: 4-(2-phenylethyl)-N-[4-(trifluoromethyloxy)phenyl]piperazine-1-carboxamide
MOLECULAR FORMULA: C20H22F3N3O2
MOLECULAR WEIGHT: 393.40279
SMILES: C1CN(CCN1CCC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)OC(F)(F)F
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Product OPENEYE NAME: N-(2,4-difluorophenyl)-4-(2-phenylethyl)piperazine-1-carboxamide
CAS Name: N-(2,4-difluorophenyl)-4-(2-phenylethyl)-1-piperazinecarboxamide
IUPAC NAME: N-(2,4-difluorophenyl)-4-(2-phenylethyl)piperazine-1-carboxamide
SYSTEMATIC NAME: N-[2,4-bis(fluoranyl)phenyl]-4-(2-phenylethyl)piperazine-1-carboxamide
MOLECULAR FORMULA: C19H21F2N3O
MOLECULAR WEIGHT: 345.386346
SMILES: C1CN(CCN1CCC2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)F)F
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Product OPENEYE NAME: N-(3,5-dichlorophenyl)-4-(2-phenylethyl)piperazine-1-carboxamide
CAS Name: N-(3,5-dichlorophenyl)-4-(2-phenylethyl)-1-piperazinecarboxamide
IUPAC NAME: N-(3,5-dichlorophenyl)-4-(2-phenylethyl)piperazine-1-carboxamide
SYSTEMATIC NAME: N-[3,5-bis(chloranyl)phenyl]-4-(2-phenylethyl)piperazine-1-carboxamide
MOLECULAR FORMULA: C19H21Cl2N3O
MOLECULAR WEIGHT: 378.29554
SMILES: C1CN(CCN1CCC2=CC=CC=C2)C(=O)NC3=CC(=CC(=C3)Cl)Cl
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Product OPENEYE NAME: tert-butyl 4-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carboxylate
CAS Name: 4-[[[(4-fluorophenyl)-oxomethyl]amino]methyl]-1-piperidinecarboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl 4-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 4-[[(4-fluorophenyl)carbonylamino]methyl]piperidine-1-carboxylate
MOLECULAR FORMULA: C18H25FN2O3
MOLECULAR WEIGHT: 336.401103
SMILES: CC(C)(C)OC(=O)N1CCC(CC1)CNC(=O)C2=CC=C(C=C2)F
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Product OPENEYE NAME: tert-butyl 4-[[(2,4-difluorobenzoyl)amino]methyl]piperidine-1-carboxylate
CAS Name: 4-[[[(2,4-difluorophenyl)-oxomethyl]amino]methyl]-1-piperidinecarboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl 4-[[(2,4-difluorobenzoyl)amino]methyl]piperidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 4-[[[2,4-bis(fluoranyl)phenyl]carbonylamino]methyl]piperidine-1-carboxylate
MOLECULAR FORMULA: C18H24F2N2O3
MOLECULAR WEIGHT: 354.391566
SMILES: CC(C)(C)OC(=O)N1CCC(CC1)CNC(=O)C2=C(C=C(C=C2)F)F
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Product OPENEYE NAME: tert-butyl 4-[[[3-(2-chlorophenyl)-5-methyl-isoxazole-4-carbonyl]amino]methyl]piperidine-1-carboxylate
CAS Name: 4-[[[[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]-oxomethyl]amino]methyl]-1-piperidinecarboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl 4-[[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl]piperidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 4-[[[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonylamino]methyl]piperidine-1-carboxylate
MOLECULAR FORMULA: C22H28ClN3O4
MOLECULAR WEIGHT: 433.92842
SMILES: CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NCC3CCN(CC3)C(=O)OC(C)(C)C
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