Tuesday, February 28, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 9-chloro-N-[4-[(9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-nonanoyl)amino]cyclohexyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-nonanamide
CAS Name: 9-chloro-N-[4-[(9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-1-oxononyl)amino]cyclohexyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide
IUPAC NAME: 9-chloro-N-[4-[(9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoyl)amino]cyclohexyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide
SYSTEMATIC NAME: 9-chloranyl-N-[4-[[9-chloranyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecakis(fluoranyl)nonanoyl]amino]cyclohexyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecakis(fluoranyl)nonanamide
MOLECULAR FORMULA: C24H12Cl2F32N2O2
MOLECULAR WEIGHT: 1039.219182
SMILES: C1CC(CCC1NC(=O)C(C(C(C(C(C(C(C(F)(F)Cl)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)NC(=O)C(C(C(C(C(C(C(C(F)(F)Cl)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
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Product OPENEYE NAME: methyl 1-(4-chlorophenyl)-8,9-diethoxy-10b-methyl-5,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinoline-3-carboxylate
CAS Name: 1-(4-chlorophenyl)-8,9-diethoxy-10b-methyl-5,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinoline-3-carboxylic acid methyl ester
IUPAC NAME: methyl 1-(4-chlorophenyl)-8,9-diethoxy-10b-methyl-5,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinoline-3-carboxylate
SYSTEMATIC NAME: methyl 1-(4-chlorophenyl)-8,9-diethoxy-10b-methyl-5,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinoline-3-carboxylate
MOLECULAR FORMULA: C23H26ClN3O4
MOLECULAR WEIGHT: 443.92324
SMILES: CCOC1=C(C=C2C(=C1)CCN3C2(N(N=C3C(=O)OC)C4=CC=C(C=C4)Cl)C)OCC
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Product OPENEYE NAME: [8,9-diethoxy-10b-methyl-1-(p-tolyl)-5,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl]-(2-thienyl)methanone
CAS Name: [8,9-diethoxy-10b-methyl-1-(4-methylphenyl)-5,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl]-thiophen-2-ylmethanone
IUPAC NAME: [8,9-diethoxy-10b-methyl-1-(4-methylphenyl)-5,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl]-thiophen-2-ylmethanone
SYSTEMATIC NAME: [8,9-diethoxy-10b-methyl-1-(4-methylphenyl)-5,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl]-thiophen-2-yl-methanone
MOLECULAR FORMULA: C27H29N3O3S
MOLECULAR WEIGHT: 475.60246
SMILES: CCOC1=C(C=C2C(=C1)CCN3C2(N(N=C3C(=O)C4=CC=CS4)C5=CC=C(C=C5)C)C)OCC
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Product OPENEYE NAME: 4-[(3,4-dichlorophenyl)methylene]-2,5-diphenyl-pyrazol-3-one
CAS Name: 4-[(3,4-dichlorophenyl)methylidene]-2,5-diphenyl-3-pyrazolone
IUPAC NAME: 4-[(3,4-dichlorophenyl)methylidene]-2,5-diphenylpyrazol-3-one
SYSTEMATIC NAME: 4-[(3,4-dichlorophenyl)methylidene]-2,5-diphenyl-pyrazol-3-one
MOLECULAR FORMULA: C22H14Cl2N2O
MOLECULAR WEIGHT: 393.26536
SMILES: C1=CC=C(C=C1)C2=NN(C(=O)C2=CC3=CC(=C(C=C3)Cl)Cl)C4=CC=CC=C4
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Product OPENEYE NAME: 4-[(2-methoxyphenyl)methylene]-2,5-diphenyl-pyrazol-3-one
CAS Name: 4-[(2-methoxyphenyl)methylidene]-2,5-diphenyl-3-pyrazolone
IUPAC NAME: 4-[(2-methoxyphenyl)methylidene]-2,5-diphenylpyrazol-3-one
SYSTEMATIC NAME: 4-[(2-methoxyphenyl)methylidene]-2,5-diphenyl-pyrazol-3-one
MOLECULAR FORMULA: C23H18N2O2
MOLECULAR WEIGHT: 354.40122
SMILES: COC1=CC=CC=C1C=C2C(=NN(C2=O)C3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: 4-[(4-bromophenyl)methylene]-2,5-diphenyl-pyrazol-3-one
CAS Name: 4-[(4-bromophenyl)methylidene]-2,5-diphenyl-3-pyrazolone
IUPAC NAME: 4-[(4-bromophenyl)methylidene]-2,5-diphenylpyrazol-3-one
SYSTEMATIC NAME: 4-[(4-bromophenyl)methylidene]-2,5-diphenyl-pyrazol-3-one
MOLECULAR FORMULA: C22H15BrN2O
MOLECULAR WEIGHT: 403.2713
SMILES: C1=CC=C(C=C1)C2=NN(C(=O)C2=CC3=CC=C(C=C3)Br)C4=CC=CC=C4
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Product OPENEYE NAME: (5-ethoxy-3-methyl-1-phenyl-pyrazol-4-yl)-(4-nitrophenyl)diazene
CAS Name: (5-ethoxy-3-methyl-1-phenyl-4-pyrazolyl)-(4-nitrophenyl)diazene
IUPAC NAME: (5-ethoxy-3-methyl-1-phenylpyrazol-4-yl)-(4-nitrophenyl)diazene
SYSTEMATIC NAME: (5-ethoxy-3-methyl-1-phenyl-pyrazol-4-yl)-(4-nitrophenyl)diazene
MOLECULAR FORMULA: C18H17N5O3
MOLECULAR WEIGHT: 351.35928
SMILES: CCOC1=C(C(=NN1C2=CC=CC=C2)C)N=NC3=CC=C(C=C3)[N+](=O)[O-]
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Product OPENEYE NAME: 4-[(3,4-dichlorophenyl)methylene]-5-methyl-2-phenyl-pyrazol-3-one
CAS Name: 4-[(3,4-dichlorophenyl)methylidene]-5-methyl-2-phenyl-3-pyrazolone
IUPAC NAME: 4-[(3,4-dichlorophenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one
SYSTEMATIC NAME: 4-[(3,4-dichlorophenyl)methylidene]-5-methyl-2-phenyl-pyrazol-3-one
MOLECULAR FORMULA: C17H12Cl2N2O
MOLECULAR WEIGHT: 331.19598
SMILES: CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)Cl)Cl)C3=CC=CC=C3
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Product OPENEYE NAME: N-hexyl-2,5-dimethyl-N-[3-oxo-3-(2-pyridylmethylamino)propyl]furan-3-carboxamide
CAS Name: N-hexyl-2,5-dimethyl-N-[3-oxo-3-(2-pyridinylmethylamino)propyl]-3-furancarboxamide
IUPAC NAME: N-hexyl-2,5-dimethyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]furan-3-carboxamide
SYSTEMATIC NAME: N-hexyl-2,5-dimethyl-N-[3-oxidanylidene-3-(pyridin-2-ylmethylamino)propyl]furan-3-carboxamide
MOLECULAR FORMULA: C22H31N3O3
MOLECULAR WEIGHT: 385.49984
SMILES: CCCCCCN(CCC(=O)NCC1=CC=CC=N1)C(=O)C2=C(OC(=C2)C)C
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Product OPENEYE NAME: cyclopentyl-[2-(2-furyl)thiazolidin-3-yl]methanone
CAS Name: cyclopentyl-[2-(2-furanyl)-3-thiazolidinyl]methanone
IUPAC NAME: cyclopentyl-[2-(furan-2-yl)-1,3-thiazolidin-3-yl]methanone
SYSTEMATIC NAME: cyclopentyl-[2-(furan-2-yl)-1,3-thiazolidin-3-yl]methanone
MOLECULAR FORMULA: C13H17NO2S
MOLECULAR WEIGHT: 251.34458
SMILES: C1CCC(C1)C(=O)N2CCSC2C3=CC=CO3
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Product OPENEYE NAME: ethyl 4-[2-(3-benzyloxy-4-methoxy-phenyl)thiazolidin-3-yl]-4-oxo-butanoate
CAS Name: 4-[2-(4-methoxy-3-phenylmethoxyphenyl)-3-thiazolidinyl]-4-oxobutanoic acid ethyl ester
IUPAC NAME: ethyl 4-[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]-4-oxobutanoate
SYSTEMATIC NAME: ethyl 4-[2-(4-methoxy-3-phenylmethoxy-phenyl)-1,3-thiazolidin-3-yl]-4-oxidanylidene-butanoate
MOLECULAR FORMULA: C23H27NO5S
MOLECULAR WEIGHT: 429.52918
SMILES: CCOC(=O)CCC(=O)N1CCSC1C2=CC(=C(C=C2)OC)OCC3=CC=CC=C3
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Product OPENEYE NAME: cyclobutyl-[2-(2,4-dichlorophenyl)thiazolidin-3-yl]methanone
CAS Name: cyclobutyl-[2-(2,4-dichlorophenyl)-3-thiazolidinyl]methanone
IUPAC NAME: cyclobutyl-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]methanone
SYSTEMATIC NAME: cyclobutyl-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]methanone
MOLECULAR FORMULA: C14H15Cl2NOS
MOLECULAR WEIGHT: 316.246
SMILES: C1CC(C1)C(=O)N2CCSC2C3=C(C=C(C=C3)Cl)Cl
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Product OPENEYE NAME: ethyl 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)thiazolidine-3-carbonyl]amino]benzoate
CAS Name: 4-[[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-thiazolidinyl]-oxomethyl]amino]benzoic acid ethyl ester
IUPAC NAME: ethyl 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidine-3-carbonyl]amino]benzoate
SYSTEMATIC NAME: ethyl 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidin-3-yl]carbonylamino]benzoate
MOLECULAR FORMULA: C21H22N2O5S
MOLECULAR WEIGHT: 414.47478
SMILES: CCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCSC2C3=CC4=C(C=C3)OCCO4
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Product OPENEYE NAME: 2-(2,4-dimethylphenyl)-N-(4-methylsulfanylphenyl)thiazolidine-3-carboxamide
CAS Name: 2-(2,4-dimethylphenyl)-N-[4-(methylthio)phenyl]-3-thiazolidinecarboxamide
IUPAC NAME: 2-(2,4-dimethylphenyl)-N-(4-methylsulfanylphenyl)-1,3-thiazolidine-3-carboxamide
SYSTEMATIC NAME: 2-(2,4-dimethylphenyl)-N-(4-methylsulfanylphenyl)-1,3-thiazolidine-3-carboxamide
MOLECULAR FORMULA: C19H22N2OS2
MOLECULAR WEIGHT: 358.52078
SMILES: CC1=CC(=C(C=C1)C2N(CCS2)C(=O)NC3=CC=C(C=C3)SC)C
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Product OPENEYE NAME: 1-(2,6-dimethylmorpholin-4-yl)-3-(2-fluorophenyl)-3-imidazo[1,2-a]pyridin-3-yl-propan-1-one
CAS Name: 1-(2,6-dimethyl-4-morpholinyl)-3-(2-fluorophenyl)-3-(3-imidazo[1,2-a]pyridinyl)-1-propanone
IUPAC NAME: 1-(2,6-dimethylmorpholin-4-yl)-3-(2-fluorophenyl)-3-imidazo[1,2-a]pyridin-3-ylpropan-1-one
SYSTEMATIC NAME: 1-(2,6-dimethylmorpholin-4-yl)-3-(2-fluorophenyl)-3-imidazo[1,2-a]pyridin-3-yl-propan-1-one
MOLECULAR FORMULA: C22H24FN3O2
MOLECULAR WEIGHT: 381.443263
SMILES: CC1CN(CC(O1)C)C(=O)CC(C2=CC=CC=C2F)C3=CN=C4N3C=CC=C4
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Product OPENEYE NAME: 1-(4-tert-butylphenyl)-N-(2-ethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CAS Name: 1-(4-tert-butylphenyl)-N-(2-ethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
IUPAC NAME: 1-(4-tert-butylphenyl)-N-(2-ethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SYSTEMATIC NAME: 1-(4-tert-butylphenyl)-N-(2-ethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
MOLECULAR FORMULA: C26H31N3O2
MOLECULAR WEIGHT: 417.54324
SMILES: CCOC1=CC=CC=C1NC(=O)N2CCN3C=CC=C3C2C4=CC=C(C=C4)C(C)(C)C
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Product OPENEYE NAME: N-[3-(isopropylamino)-3-oxo-propyl]-N-(2-phenylethyl)pyrazine-2-carboxamide
CAS Name: N-[3-oxo-3-(propan-2-ylamino)propyl]-N-(2-phenylethyl)-2-pyrazinecarboxamide
IUPAC NAME: N-[3-oxo-3-(propan-2-ylamino)propyl]-N-(2-phenylethyl)pyrazine-2-carboxamide
SYSTEMATIC NAME: N-[3-oxidanylidene-3-(propan-2-ylamino)propyl]-N-(2-phenylethyl)pyrazine-2-carboxamide
MOLECULAR FORMULA: C19H24N4O2
MOLECULAR WEIGHT: 340.41946
SMILES: CC(C)NC(=O)CCN(CCC1=CC=CC=C1)C(=O)C2=NC=CN=C2
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Product OPENEYE NAME: ethyl 1-[3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-methoxyphenyl)propanoyl]piperidine-3-carboxylate
CAS Name: 1-[3-(6-chloro-3-imidazo[1,2-a]pyridinyl)-3-(2-methoxyphenyl)-1-oxopropyl]-3-piperidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 1-[3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-methoxyphenyl)propanoyl]piperidine-3-carboxylate
SYSTEMATIC NAME: ethyl 1-[3-(6-chloranylimidazo[1,2-a]pyridin-3-yl)-3-(2-methoxyphenyl)propanoyl]piperidine-3-carboxylate
MOLECULAR FORMULA: C25H28ClN3O4
MOLECULAR WEIGHT: 469.96052
SMILES: CCOC(=O)C1CCCN(C1)C(=O)CC(C2=CC=CC=C2OC)C3=CN=C4N3C=C(C=C4)Cl
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Product OPENEYE NAME: N-[3-[5-(thiophene-2-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide
CAS Name: N-[3-[5-[oxo(thiophen-2-yl)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide
IUPAC NAME: N-[3-[5-(thiophene-2-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide
SYSTEMATIC NAME: N-[3-(5-thiophen-2-ylcarbonyl-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl)phenyl]benzamide
MOLECULAR FORMULA: C25H20N2O3S
MOLECULAR WEIGHT: 428.5029
SMILES: C1CN(CC2=C1OC(=C2)C3=CC(=CC=C3)NC(=O)C4=CC=CC=C4)C(=O)C5=CC=CS5
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Product OPENEYE NAME: N-(2-furylmethyl)-5-methyl-N-[(3-phenylphenyl)methyl]isoxazole-3-carboxamide
CAS Name: N-(2-furanylmethyl)-5-methyl-N-[(3-phenylphenyl)methyl]-3-isoxazolecarboxamide
IUPAC NAME: N-(furan-2-ylmethyl)-5-methyl-N-[(3-phenylphenyl)methyl]-1,2-oxazole-3-carboxamide
SYSTEMATIC NAME: N-(furan-2-ylmethyl)-5-methyl-N-[(3-phenylphenyl)methyl]-1,2-oxazole-3-carboxamide
MOLECULAR FORMULA: C23H20N2O3
MOLECULAR WEIGHT: 372.4165
SMILES: CC1=CC(=NO1)C(=O)N(CC2=CC=CC(=C2)C3=CC=CC=C3)CC4=CC=CO4
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