Friday, November 30, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 1,3-bis[3-(cyclopentoxy)-4-methoxy-phenyl]urea
CAS Name: 1,3-bis(3-cyclopentyloxy-4-methoxyphenyl)urea
IUPAC NAME: 1,3-bis(3-cyclopentyloxy-4-methoxyphenyl)urea
SYSTEMATIC NAME: 1,3-bis(3-cyclopentyloxy-4-methoxy-phenyl)urea
MOLECULAR FORMULA: C25H32N2O5
MOLECULAR WEIGHT: 440.53198
SMILES: COC1=C(C=C(C=C1)NC(=O)NC2=CC(=C(C=C2)OC)OC3CCCC3)OC4CCCC4
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Product OPENEYE NAME: 1-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
CAS Name: 1-(3-cyclopentyloxy-4-methoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]urea
IUPAC NAME: 1-(3-cyclopentyloxy-4-methoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]urea
SYSTEMATIC NAME: 1-(3-cyclopentyloxy-4-methoxy-phenyl)-3-[4-(trifluoromethyloxy)phenyl]urea
MOLECULAR FORMULA: C20H21F3N2O4
MOLECULAR WEIGHT: 410.38695
SMILES: COC1=C(C=C(C=C1)NC(=O)NC2=CC=C(C=C2)OC(F)(F)F)OC3CCCC3
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Product OPENEYE NAME: 1-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-(2,4-dimethoxyphenyl)urea
CAS Name: 1-(3-cyclopentyloxy-4-methoxyphenyl)-3-(2,4-dimethoxyphenyl)urea
IUPAC NAME: 1-(3-cyclopentyloxy-4-methoxyphenyl)-3-(2,4-dimethoxyphenyl)urea
SYSTEMATIC NAME: 1-(3-cyclopentyloxy-4-methoxy-phenyl)-3-(2,4-dimethoxyphenyl)urea
MOLECULAR FORMULA: C21H26N2O5
MOLECULAR WEIGHT: 386.44154
SMILES: COC1=CC(=C(C=C1)NC(=O)NC2=CC(=C(C=C2)OC)OC3CCCC3)OC
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Product OPENEYE NAME: 1-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CAS Name: 1-(3-cyclopentyloxy-4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
IUPAC NAME: 1-(3-cyclopentyloxy-4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
SYSTEMATIC NAME: 1-(3-cyclopentyloxy-4-methoxy-phenyl)-3-[3-(trifluoromethyl)phenyl]urea
MOLECULAR FORMULA: C20H21F3N2O3
MOLECULAR WEIGHT: 394.38755
SMILES: COC1=C(C=C(C=C1)NC(=O)NC2=CC=CC(=C2)C(F)(F)F)OC3CCCC3
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Product OPENEYE NAME: N-[(4-chlorophenyl)carbamoyl]-3-(cyclopentoxy)-4-methoxy-benzamide
CAS Name: N-[(4-chloroanilino)-oxomethyl]-3-cyclopentyloxy-4-methoxybenzamide
IUPAC NAME: N-[(4-chlorophenyl)carbamoyl]-3-cyclopentyloxy-4-methoxybenzamide
SYSTEMATIC NAME: N-[(4-chlorophenyl)carbamoyl]-3-cyclopentyloxy-4-methoxy-benzamide
MOLECULAR FORMULA: C20H21ClN2O4
MOLECULAR WEIGHT: 388.84474
SMILES: COC1=C(C=C(C=C1)C(=O)NC(=O)NC2=CC=C(C=C2)Cl)OC3CCCC3
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Product OPENEYE NAME: 3-(cyclopentoxy)-4-methoxy-N-[(4-methoxyphenyl)carbamoyl]benzamide
CAS Name: 3-cyclopentyloxy-4-methoxy-N-[(4-methoxyanilino)-oxomethyl]benzamide
IUPAC NAME: 3-cyclopentyloxy-4-methoxy-N-[(4-methoxyphenyl)carbamoyl]benzamide
SYSTEMATIC NAME: 3-cyclopentyloxy-4-methoxy-N-[(4-methoxyphenyl)carbamoyl]benzamide
MOLECULAR FORMULA: C21H24N2O5
MOLECULAR WEIGHT: 384.42566
SMILES: COC1=CC=C(C=C1)NC(=O)NC(=O)C2=CC(=C(C=C2)OC)OC3CCCC3
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Product OPENEYE NAME: 3-(cyclopentoxy)-4-methoxy-N-[[3-(trifluoromethyl)phenyl]carbamoyl]benzamide
CAS Name: 3-cyclopentyloxy-4-methoxy-N-[oxo-[3-(trifluoromethyl)anilino]methyl]benzamide
IUPAC NAME: 3-cyclopentyloxy-4-methoxy-N-[[3-(trifluoromethyl)phenyl]carbamoyl]benzamide
SYSTEMATIC NAME: 3-cyclopentyloxy-4-methoxy-N-[[3-(trifluoromethyl)phenyl]carbamoyl]benzamide
MOLECULAR FORMULA: C21H21F3N2O4
MOLECULAR WEIGHT: 422.39765
SMILES: COC1=C(C=C(C=C1)C(=O)NC(=O)NC2=CC=CC(=C2)C(F)(F)F)OC3CCCC3
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Product OPENEYE NAME: 2-methyl-5-(3-pyridyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CAS Name: 2-methyl-5-(3-pyridinyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
IUPAC NAME: 2-methyl-5-pyridin-3-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SYSTEMATIC NAME: 2-methyl-5-pyridin-3-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
MOLECULAR FORMULA: C13H9F3N4
MOLECULAR WEIGHT: 278.23257
SMILES: CC1=NN2C(=CC(=NC2=C1)C3=CN=CC=C3)C(F)(F)F
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Product OPENEYE NAME: 1-[(5-hex-1-ynylfuran-2-carbonyl)amino]-3-methyl-thiourea
CAS Name: 1-[[(5-hex-1-ynyl-2-furanyl)-oxomethyl]amino]-3-methylthiourea
IUPAC NAME: 1-[(5-hex-1-ynylfuran-2-carbonyl)amino]-3-methylthiourea
SYSTEMATIC NAME: 1-[(5-hex-1-ynylfuran-2-yl)carbonylamino]-3-methyl-thiourea
MOLECULAR FORMULA: C13H17N3O2S
MOLECULAR WEIGHT: 279.35798
SMILES: CCCCC#CC1=CC=C(O1)C(=O)NNC(=S)NC
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Product OPENEYE NAME: 2,1,3-benzoxadiazol-5-yl-(4-phenylpiperazin-1-yl)methanone
CAS Name: 2,1,3-benzoxadiazol-5-yl-(4-phenyl-1-piperazinyl)methanone
IUPAC NAME: 2,1,3-benzoxadiazol-5-yl-(4-phenylpiperazin-1-yl)methanone
SYSTEMATIC NAME: 2,1,3-benzoxadiazol-5-yl-(4-phenylpiperazin-1-yl)methanone
MOLECULAR FORMULA: C17H16N4O2
MOLECULAR WEIGHT: 308.33454
SMILES: C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC4=NON=C4C=C3
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Product OPENEYE NAME: [[amino-[3-(cyclopentoxy)-4-methoxy-phenyl]methylene]amino] 4-chlorobenzoate
CAS Name: 4-chlorobenzoic acid [[amino-(3-cyclopentyloxy-4-methoxyphenyl)methylidene]amino] ester
IUPAC NAME: [[amino-(3-cyclopentyloxy-4-methoxyphenyl)methylidene]amino] 4-chlorobenzoate
SYSTEMATIC NAME: [[azanyl-(3-cyclopentyloxy-4-methoxy-phenyl)methylidene]amino] 4-chloranylbenzoate
MOLECULAR FORMULA: C20H21ClN2O4
MOLECULAR WEIGHT: 388.84474
SMILES: COC1=C(C=C(C=C1)C(=NOC(=O)C2=CC=C(C=C2)Cl)N)OC3CCCC3
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Product OPENEYE NAME: [[amino-[3-(cyclopentoxy)-4-methoxy-phenyl]methylene]amino] 3-(trifluoromethyl)benzoate
CAS Name: 3-(trifluoromethyl)benzoic acid [[amino-(3-cyclopentyloxy-4-methoxyphenyl)methylidene]amino] ester
IUPAC NAME: [[amino-(3-cyclopentyloxy-4-methoxyphenyl)methylidene]amino] 3-(trifluoromethyl)benzoate
SYSTEMATIC NAME: [[azanyl-(3-cyclopentyloxy-4-methoxy-phenyl)methylidene]amino] 3-(trifluoromethyl)benzoate
MOLECULAR FORMULA: C21H21F3N2O4
MOLECULAR WEIGHT: 422.39765
SMILES: COC1=C(C=C(C=C1)C(=NOC(=O)C2=CC(=CC=C2)C(F)(F)F)N)OC3CCCC3
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Product OPENEYE NAME: 2-cyclopropyl-5-(3-pyridyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CAS Name: 2-cyclopropyl-5-(3-pyridinyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
IUPAC NAME: 2-cyclopropyl-5-pyridin-3-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SYSTEMATIC NAME: 2-cyclopropyl-5-pyridin-3-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
MOLECULAR FORMULA: C15H11F3N4
MOLECULAR WEIGHT: 304.26985
SMILES: C1CC1C2=NN3C(=CC(=NC3=C2)C4=CN=CC=C4)C(F)(F)F
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Product OPENEYE NAME: 2-(2-furyl)-5-(3-pyridyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CAS Name: 2-(2-furanyl)-5-(3-pyridinyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
IUPAC NAME: 2-(furan-2-yl)-5-pyridin-3-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SYSTEMATIC NAME: 2-(furan-2-yl)-5-pyridin-3-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
MOLECULAR FORMULA: C16H9F3N4O
MOLECULAR WEIGHT: 330.26407
SMILES: C1=CC(=CN=C1)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C4=CC=CO4
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Product OPENEYE NAME: 3-[3-(cyclopentoxy)-4-methoxy-phenyl]-5-phenyl-1,2,4-oxadiazole
CAS Name: 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-phenyl-1,2,4-oxadiazole
IUPAC NAME: 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-phenyl-1,2,4-oxadiazole
SYSTEMATIC NAME: 3-(3-cyclopentyloxy-4-methoxy-phenyl)-5-phenyl-1,2,4-oxadiazole
MOLECULAR FORMULA: C20H20N2O3
MOLECULAR WEIGHT: 336.3844
SMILES: COC1=C(C=C(C=C1)C2=NOC(=N2)C3=CC=CC=C3)OC4CCCC4
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Product OPENEYE NAME: (4-benzhydrylpiperazin-1-yl)-(2,1,3-benzoxadiazol-5-yl)methanone
CAS Name: 2,1,3-benzoxadiazol-5-yl-[4-(diphenylmethyl)-1-piperazinyl]methanone
IUPAC NAME: (4-benzhydrylpiperazin-1-yl)-(2,1,3-benzoxadiazol-5-yl)methanone
SYSTEMATIC NAME: 2,1,3-benzoxadiazol-5-yl-[4-(diphenylmethyl)piperazin-1-yl]methanone
MOLECULAR FORMULA: C24H22N4O2
MOLECULAR WEIGHT: 398.45708
SMILES: C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC5=NON=C5C=C4
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Product OPENEYE NAME: 3-(5-hex-1-ynyl-2-furyl)-4-methyl-1H-1,2,4-triazole-5-thione
CAS Name: 3-(5-hex-1-ynyl-2-furanyl)-4-methyl-1H-1,2,4-triazole-5-thione
IUPAC NAME: 3-(5-hex-1-ynylfuran-2-yl)-4-methyl-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 3-(5-hex-1-ynylfuran-2-yl)-4-methyl-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C13H15N3OS
MOLECULAR WEIGHT: 261.3427
SMILES: CCCCC#CC1=CC=C(O1)C2=NNC(=S)N2C
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Product OPENEYE NAME: 3-[(1-benzyl-4-piperidyl)methoxy]propanenitrile
CAS Name: 3-[[1-(phenylmethyl)-4-piperidinyl]methoxy]propanenitrile
IUPAC NAME: 3-[(1-benzylpiperidin-4-yl)methoxy]propanenitrile
SYSTEMATIC NAME: 3-[[1-(phenylmethyl)piperidin-4-yl]methoxy]propanenitrile
MOLECULAR FORMULA: C16H22N2O
MOLECULAR WEIGHT: 258.35868
SMILES: C1CN(CCC1COCCC#N)CC2=CC=CC=C2
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