Tuesday, November 27, 2012

All Chemical Compounds Information




Product OPENEYE NAME: N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]indane-2-carboxamide
CAS Name: N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide
IUPAC NAME: N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide
SYSTEMATIC NAME: N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide
MOLECULAR FORMULA: C19H16ClN3O
MOLECULAR WEIGHT: 337.80284
SMILES: C1C(CC2=CC=CC=C21)C(=O)NC3=NNC(=C3)C4=CC=C(C=C4)Cl
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Product OPENEYE NAME: 1-(2,5-dimethyl-3-thienyl)-3-[5-(2,5-dimethyl-3-thienyl)-3,4-dihydropyrazol-2-yl]propan-1-one
CAS Name: 1-(2,5-dimethyl-3-thiophenyl)-3-[5-(2,5-dimethyl-3-thiophenyl)-3,4-dihydropyrazol-2-yl]-1-propanone
IUPAC NAME: 1-(2,5-dimethylthiophen-3-yl)-3-[5-(2,5-dimethylthiophen-3-yl)-3,4-dihydropyrazol-2-yl]propan-1-one
SYSTEMATIC NAME: 1-(2,5-dimethylthiophen-3-yl)-3-[5-(2,5-dimethylthiophen-3-yl)-3,4-dihydropyrazol-2-yl]propan-1-one
MOLECULAR FORMULA: C18H22N2OS2
MOLECULAR WEIGHT: 346.51008
SMILES: CC1=CC(=C(S1)C)C2=NN(CC2)CCC(=O)C3=C(SC(=C3)C)C
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Product OPENEYE NAME: 2-tert-butyl-3-chloro-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CAS Name: 2-tert-butyl-3-chloro-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
IUPAC NAME: 2-tert-butyl-3-chloro-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SYSTEMATIC NAME: 2-tert-butyl-3-chloranyl-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
MOLECULAR FORMULA: C12H13ClF3N3
MOLECULAR WEIGHT: 291.69993
SMILES: CC1=CC(=NC2=C(C(=NN12)C(C)(C)C)Cl)C(F)(F)F
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Product OPENEYE NAME: N-(3-chloro-4-fluoro-anilino)-2-cyclopropyl-2-oxo-acetimidoyl cyanide
CAS Name: 2-[(3-chloro-4-fluorophenyl)hydrazinylidene]-3-cyclopropyl-3-oxopropanenitrile
IUPAC NAME: N-(3-chloro-4-fluoroanilino)-2-cyclopropyl-2-oxoethanimidoyl cyanide
SYSTEMATIC NAME: 2-[(3-chloranyl-4-fluoranyl-phenyl)hydrazinylidene]-3-cyclopropyl-3-oxidanylidene-propanenitrile
MOLECULAR FORMULA: C12H9ClFN3O
MOLECULAR WEIGHT: 265.670763
SMILES: C1CC1C(=O)C(=NNC2=CC(=C(C=C2)F)Cl)C#N
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Product OPENEYE NAME: N-(4-fluoroanilino)-3,3-dimethyl-2-oxo-butanimidoyl cyanide
CAS Name: 2-[(4-fluorophenyl)hydrazinylidene]-4,4-dimethyl-3-oxopentanenitrile
IUPAC NAME: N-(4-fluoroanilino)-3,3-dimethyl-2-oxobutanimidoyl cyanide
SYSTEMATIC NAME: 2-[(4-fluorophenyl)hydrazinylidene]-4,4-dimethyl-3-oxidanylidene-pentanenitrile
MOLECULAR FORMULA: C13H14FN3O
MOLECULAR WEIGHT: 247.268163
SMILES: CC(C)(C)C(=O)C(=NNC1=CC=C(C=C1)F)C#N
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Product OPENEYE NAME: 1-[[2-[(4-methoxyphenyl)methylsulfanyl]quinuclidine-3-carbonyl]amino]-3-phenyl-thiourea
CAS Name: 1-[[[2-[(4-methoxyphenyl)methylthio]-1-azabicyclo[2.2.2]octan-3-yl]-oxomethyl]amino]-3-phenylthiourea
IUPAC NAME: 1-[[2-[(4-methoxyphenyl)methylsulfanyl]-1-azabicyclo[2.2.2]octane-3-carbonyl]amino]-3-phenylthiourea
SYSTEMATIC NAME: 1-[[2-[(4-methoxyphenyl)methylsulfanyl]-1-azabicyclo[2.2.2]octan-3-yl]carbonylamino]-3-phenyl-thiourea
MOLECULAR FORMULA: C23H28N4O2S2
MOLECULAR WEIGHT: 456.62402
SMILES: COC1=CC=C(C=C1)CSC2C(C3CCN2CC3)C(=O)NNC(=S)NC4=CC=CC=C4
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Product OPENEYE NAME: S-[4-(trifluoromethyl)phenyl] 3-[[1-(3,4-dimethoxyphenyl)ethylideneamino]oxymethyl]benzenecarbothioate
CAS Name: 3-[[1-(3,4-dimethoxyphenyl)ethylideneamino]oxymethyl]benzenecarbothioic acid S-[4-(trifluoromethyl)phenyl] ester
IUPAC NAME: S-[4-(trifluoromethyl)phenyl] 3-[[1-(3,4-dimethoxyphenyl)ethylideneamino]oxymethyl]benzenecarbothioate
SYSTEMATIC NAME: S-[4-(trifluoromethyl)phenyl] 3-[[1-(3,4-dimethoxyphenyl)ethylideneamino]oxymethyl]benzenecarbothioate
MOLECULAR FORMULA: C25H22F3NO4S
MOLECULAR WEIGHT: 489.50669
SMILES: CC(=NOCC1=CC=CC(=C1)C(=O)SC2=CC=C(C=C2)C(F)(F)F)C3=CC(=C(C=C3)OC)OC
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Product OPENEYE NAME: N-(4-fluoroanilino)-2-oxo-2-phenyl-acetimidoyl cyanide
CAS Name: 2-[(4-fluorophenyl)hydrazinylidene]-3-oxo-3-phenylpropanenitrile
IUPAC NAME: N-(4-fluoroanilino)-2-oxo-2-phenylethanimidoyl cyanide
SYSTEMATIC NAME: 2-[(4-fluorophenyl)hydrazinylidene]-3-oxidanylidene-3-phenyl-propanenitrile
MOLECULAR FORMULA: C15H10FN3O
MOLECULAR WEIGHT: 267.257803
SMILES: C1=CC=C(C=C1)C(=O)C(=NNC2=CC=C(C=C2)F)C#N
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Product OPENEYE NAME: 2-(4-chlorophenyl)-N-(4-fluoroanilino)-2-oxo-acetimidoyl cyanide
CAS Name: 3-(4-chlorophenyl)-2-[(4-fluorophenyl)hydrazinylidene]-3-oxopropanenitrile
IUPAC NAME: 2-(4-chlorophenyl)-N-(4-fluoroanilino)-2-oxoethanimidoyl cyanide
SYSTEMATIC NAME: 3-(4-chlorophenyl)-2-[(4-fluorophenyl)hydrazinylidene]-3-oxidanylidene-propanenitrile
MOLECULAR FORMULA: C15H9ClFN3O
MOLECULAR WEIGHT: 301.702863
SMILES: C1=CC(=CC=C1C(=O)C(=NNC2=CC=C(C=C2)F)C#N)Cl
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Product OPENEYE NAME: 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-thiazole-5-carboxylic acid
CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-5-thiazolecarboxylic acid
IUPAC NAME: 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
SYSTEMATIC NAME: 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
MOLECULAR FORMULA: C13H11NO4S
MOLECULAR WEIGHT: 277.29574
SMILES: CC1=C(SC(=N1)C2COC3=CC=CC=C3O2)C(=O)O
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Product OPENEYE NAME: N'-hydroxy-2,2-dimethyl-chromene-6-carboxamidine
CAS Name: N'-hydroxy-2,2-dimethyl-1-benzopyran-6-carboximidamide
IUPAC NAME: N'-hydroxy-2,2-dimethylchromene-6-carboximidamide
SYSTEMATIC NAME: 2,2-dimethyl-N'-oxidanyl-chromene-6-carboximidamide
MOLECULAR FORMULA: C12H14N2O2
MOLECULAR WEIGHT: 218.25176
SMILES: CC1(C=CC2=C(O1)C=CC(=C2)C(=NO)N)C
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Product OPENEYE NAME: [[amino-(2,2-dimethylchromen-6-yl)methylene]amino] N-phenylcarbamate
CAS Name: N-phenylcarbamic acid [[amino-(2,2-dimethyl-1-benzopyran-6-yl)methylidene]amino] ester
IUPAC NAME: [[amino-(2,2-dimethylchromen-6-yl)methylidene]amino] N-phenylcarbamate
SYSTEMATIC NAME: [[azanyl-(2,2-dimethylchromen-6-yl)methylidene]amino] N-phenylcarbamate
MOLECULAR FORMULA: C19H19N3O3
MOLECULAR WEIGHT: 337.37246
SMILES: CC1(C=CC2=C(O1)C=CC(=C2)C(=NOC(=O)NC3=CC=CC=C3)N)C
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Product OPENEYE NAME: 2-(4-methoxyphenyl)-3,3a,4,5-tetrahydrobenzo[g]indazole
CAS Name: 2-(4-methoxyphenyl)-3,3a,4,5-tetrahydrobenzo[g]indazole
IUPAC NAME: 2-(4-methoxyphenyl)-3,3a,4,5-tetrahydrobenzo[g]indazole
SYSTEMATIC NAME: 2-(4-methoxyphenyl)-3,3a,4,5-tetrahydrobenzo[g]indazole
MOLECULAR FORMULA: C18H18N2O
MOLECULAR WEIGHT: 278.34832
SMILES: COC1=CC=C(C=C1)N2CC3CCC4=CC=CC=C4C3=N2
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Product OPENEYE NAME: [[amino-(2,2-dimethylchromen-6-yl)methylene]amino] benzoate
CAS Name: benzoic acid [[amino-(2,2-dimethyl-1-benzopyran-6-yl)methylidene]amino] ester
IUPAC NAME: [[amino-(2,2-dimethylchromen-6-yl)methylidene]amino] benzoate
SYSTEMATIC NAME: [[azanyl-(2,2-dimethylchromen-6-yl)methylidene]amino] benzoate
MOLECULAR FORMULA: C19H18N2O3
MOLECULAR WEIGHT: 322.35782
SMILES: CC1(C=CC2=C(O1)C=CC(=C2)C(=NOC(=O)C3=CC=CC=C3)N)C
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Product OPENEYE NAME: 2-benzyl-3,3a,4,5-tetrahydrobenzo[g]indazole
CAS Name: 2-(phenylmethyl)-3,3a,4,5-tetrahydrobenzo[g]indazole
IUPAC NAME: 2-benzyl-3,3a,4,5-tetrahydrobenzo[g]indazole
SYSTEMATIC NAME: 2-(phenylmethyl)-3,3a,4,5-tetrahydrobenzo[g]indazole
MOLECULAR FORMULA: C18H18N2
MOLECULAR WEIGHT: 262.34892
SMILES: C1CC2=CC=CC=C2C3=NN(CC31)CC4=CC=CC=C4
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Product OPENEYE NAME: N'-benzoyl-2-[(4-methoxyphenyl)methylsulfanyl]quinuclidine-3-carbohydrazide hydrochloride
CAS Name: N'-benzoyl-2-[(4-methoxyphenyl)methylthio]-1-azabicyclo[2.2.2]octane-3-carbohydrazide hydrochloride
IUPAC NAME: N'-benzoyl-2-[(4-methoxyphenyl)methylsulfanyl]-1-azabicyclo[2.2.2]octane-3-carbohydrazide hydrochloride
SYSTEMATIC NAME: 2-[(4-methoxyphenyl)methylsulfanyl]-N'-(phenylcarbonyl)-1-azabicyclo[2.2.2]octane-3-carbohydrazide hydrochloride
MOLECULAR FORMULA: C23H28ClN3O3S
MOLECULAR WEIGHT: 462.00472
SMILES: COC1=CC=C(C=C1)CSC2C(C3CCN2CC3)C(=O)NNC(=O)C4=CC=CC=C4.Cl
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Product OPENEYE NAME: N'-benzoyl-2-[(4-methoxyphenyl)methylsulfanyl]quinuclidine-3-carbohydrazide
CAS Name: N'-benzoyl-2-[(4-methoxyphenyl)methylthio]-1-azabicyclo[2.2.2]octane-3-carbohydrazide
IUPAC NAME: N'-benzoyl-2-[(4-methoxyphenyl)methylsulfanyl]-1-azabicyclo[2.2.2]octane-3-carbohydrazide
SYSTEMATIC NAME: 2-[(4-methoxyphenyl)methylsulfanyl]-N'-(phenylcarbonyl)-1-azabicyclo[2.2.2]octane-3-carbohydrazide
MOLECULAR FORMULA: C23H27N3O3S
MOLECULAR WEIGHT: 425.54378
SMILES: COC1=CC=C(C=C1)CSC2C(C3CCN2CC3)C(=O)NNC(=O)C4=CC=CC=C4
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Product OPENEYE NAME: N'-(2,4-dichlorobenzoyl)-2-[(4-methoxyphenyl)methylsulfanyl]quinuclidine-3-carbohydrazide hydrochloride
CAS Name: N'-[(2,4-dichlorophenyl)-oxomethyl]-2-[(4-methoxyphenyl)methylthio]-1-azabicyclo[2.2.2]octane-3-carbohydrazide hydrochloride
IUPAC NAME: N'-(2,4-dichlorobenzoyl)-2-[(4-methoxyphenyl)methylsulfanyl]-1-azabicyclo[2.2.2]octane-3-carbohydrazide hydrochloride
SYSTEMATIC NAME: N'-(2,4-dichlorophenyl)carbonyl-2-[(4-methoxyphenyl)methylsulfanyl]-1-azabicyclo[2.2.2]octane-3-carbohydrazide hydrochloride
MOLECULAR FORMULA: C23H26Cl3N3O3S
MOLECULAR WEIGHT: 530.89484
SMILES: COC1=CC=C(C=C1)CSC2C(C3CCN2CC3)C(=O)NNC(=O)C4=C(C=C(C=C4)Cl)Cl.Cl
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Product OPENEYE NAME: N'-(2,4-dichlorobenzoyl)-2-[(4-methoxyphenyl)methylsulfanyl]quinuclidine-3-carbohydrazide
CAS Name: N'-[(2,4-dichlorophenyl)-oxomethyl]-2-[(4-methoxyphenyl)methylthio]-1-azabicyclo[2.2.2]octane-3-carbohydrazide
IUPAC NAME: N'-(2,4-dichlorobenzoyl)-2-[(4-methoxyphenyl)methylsulfanyl]-1-azabicyclo[2.2.2]octane-3-carbohydrazide
SYSTEMATIC NAME: N'-(2,4-dichlorophenyl)carbonyl-2-[(4-methoxyphenyl)methylsulfanyl]-1-azabicyclo[2.2.2]octane-3-carbohydrazide
MOLECULAR FORMULA: C23H25Cl2N3O3S
MOLECULAR WEIGHT: 494.4339
SMILES: COC1=CC=C(C=C1)CSC2C(C3CCN2CC3)C(=O)NNC(=O)C4=C(C=C(C=C4)Cl)Cl
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Product OPENEYE NAME: 5-bromo-N-(p-tolyl)-2,3-dihydrobenzofuran-7-carboxamide
CAS Name: 5-bromo-N-(4-methylphenyl)-2,3-dihydrobenzofuran-7-carboxamide
IUPAC NAME: 5-bromo-N-(4-methylphenyl)-2,3-dihydro-1-benzofuran-7-carboxamide
SYSTEMATIC NAME: 5-bromanyl-N-(4-methylphenyl)-2,3-dihydro-1-benzofuran-7-carboxamide
MOLECULAR FORMULA: C16H14BrNO2
MOLECULAR WEIGHT: 332.19186
SMILES: CC1=CC=C(C=C1)NC(=O)C2=CC(=CC3=C2OCC3)Br
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Product OPENEYE NAME: 3-(2,2-dimethylchromen-6-yl)-5-phenyl-1,2,4-oxadiazole
CAS Name: 3-(2,2-dimethyl-1-benzopyran-6-yl)-5-phenyl-1,2,4-oxadiazole
IUPAC NAME: 3-(2,2-dimethylchromen-6-yl)-5-phenyl-1,2,4-oxadiazole
SYSTEMATIC NAME: 3-(2,2-dimethylchromen-6-yl)-5-phenyl-1,2,4-oxadiazole
MOLECULAR FORMULA: C19H16N2O2
MOLECULAR WEIGHT: 304.34254
SMILES: CC1(C=CC2=C(O1)C=CC(=C2)C3=NOC(=N3)C4=CC=CC=C4)C
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