Friday, November 30, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
CAS Name: 4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
IUPAC NAME: 4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
SYSTEMATIC NAME: 4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
MOLECULAR FORMULA: C9H6F3N3
MOLECULAR WEIGHT: 213.15925
SMILES: C1=CN=CC=C1C2=NNC(=C2)C(F)(F)F
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Product OPENEYE NAME: 5-hex-1-ynyl-N-[[4-(trifluoromethyl)phenyl]methyleneamino]furan-2-carboxamide
CAS Name: 5-hex-1-ynyl-N-[[4-(trifluoromethyl)phenyl]methylideneamino]-2-furancarboxamide
IUPAC NAME: 5-hex-1-ynyl-N-[[4-(trifluoromethyl)phenyl]methylideneamino]furan-2-carboxamide
SYSTEMATIC NAME: 5-hex-1-ynyl-N-[[4-(trifluoromethyl)phenyl]methylideneamino]furan-2-carboxamide
MOLECULAR FORMULA: C19H17F3N2O2
MOLECULAR WEIGHT: 362.34569
SMILES: CCCCC#CC1=CC=C(O1)C(=O)NN=CC2=CC=C(C=C2)C(F)(F)F
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Product OPENEYE NAME: 5-hex-1-ynyl-N-[(3-methoxyphenyl)methyleneamino]furan-2-carboxamide
CAS Name: 5-hex-1-ynyl-N-[(3-methoxyphenyl)methylideneamino]-2-furancarboxamide
IUPAC NAME: 5-hex-1-ynyl-N-[(3-methoxyphenyl)methylideneamino]furan-2-carboxamide
SYSTEMATIC NAME: 5-hex-1-ynyl-N-[(3-methoxyphenyl)methylideneamino]furan-2-carboxamide
MOLECULAR FORMULA: C19H20N2O3
MOLECULAR WEIGHT: 324.3737
SMILES: CCCCC#CC1=CC=C(O1)C(=O)NN=CC2=CC(=CC=C2)OC
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Product OPENEYE NAME: benzyl N-[1-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]-2-methyl-propyl]carbamate
CAS Name: N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]carbamic acid (phenylmethyl) ester
IUPAC NAME: benzyl N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]carbamate
SYSTEMATIC NAME: (phenylmethyl) N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate
MOLECULAR FORMULA: C23H30N2O5
MOLECULAR WEIGHT: 414.4947
SMILES: CC(C)C(C(=O)NCCC1=CC(=C(C=C1)OC)OC)NC(=O)OCC2=CC=CC=C2
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Product OPENEYE NAME: 1-(4-chlorophenyl)-3-[(5-hex-1-ynylfuran-2-carbonyl)amino]urea
CAS Name: 1-(4-chlorophenyl)-3-[[(5-hex-1-ynyl-2-furanyl)-oxomethyl]amino]urea
IUPAC NAME: 1-(4-chlorophenyl)-3-[(5-hex-1-ynylfuran-2-carbonyl)amino]urea
SYSTEMATIC NAME: 1-(4-chlorophenyl)-3-[(5-hex-1-ynylfuran-2-yl)carbonylamino]urea
MOLECULAR FORMULA: C18H18ClN3O3
MOLECULAR WEIGHT: 359.80682
SMILES: CCCCC#CC1=CC=C(O1)C(=O)NNC(=O)NC2=CC=C(C=C2)Cl
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Product OPENEYE NAME: 1-(3,5-dichlorophenyl)-3-[(5-hex-1-ynylfuran-2-carbonyl)amino]urea
CAS Name: 1-(3,5-dichlorophenyl)-3-[[(5-hex-1-ynyl-2-furanyl)-oxomethyl]amino]urea
IUPAC NAME: 1-(3,5-dichlorophenyl)-3-[(5-hex-1-ynylfuran-2-carbonyl)amino]urea
SYSTEMATIC NAME: 1-[3,5-bis(chloranyl)phenyl]-3-[(5-hex-1-ynylfuran-2-yl)carbonylamino]urea
MOLECULAR FORMULA: C18H17Cl2N3O3
MOLECULAR WEIGHT: 394.25188
SMILES: CCCCC#CC1=CC=C(O1)C(=O)NNC(=O)NC2=CC(=CC(=C2)Cl)Cl
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Product OPENEYE NAME: 1-[(5-hex-1-ynylfuran-2-carbonyl)amino]-3-[4-(trifluoromethoxy)phenyl]urea
CAS Name: 1-[[(5-hex-1-ynyl-2-furanyl)-oxomethyl]amino]-3-[4-(trifluoromethoxy)phenyl]urea
IUPAC NAME: 1-[(5-hex-1-ynylfuran-2-carbonyl)amino]-3-[4-(trifluoromethoxy)phenyl]urea
SYSTEMATIC NAME: 1-[(5-hex-1-ynylfuran-2-yl)carbonylamino]-3-[4-(trifluoromethyloxy)phenyl]urea
MOLECULAR FORMULA: C19H18F3N3O4
MOLECULAR WEIGHT: 409.35913
SMILES: CCCCC#CC1=CC=C(O1)C(=O)NNC(=O)NC2=CC=C(C=C2)OC(F)(F)F
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Product OPENEYE NAME: ethyl 3-[2-furylmethyl-[[5-(2-methylsulfanylpyrimidin-4-yl)-2-thienyl]sulfonyl]amino]propanoate
CAS Name: 3-[2-furanylmethyl-[[5-[2-(methylthio)-4-pyrimidinyl]-2-thiophenyl]sulfonyl]amino]propanoic acid ethyl ester
IUPAC NAME: ethyl 3-[furan-2-ylmethyl-[5-(2-methylsulfanylpyrimidin-4-yl)thiophen-2-yl]sulfonylamino]propanoate
SYSTEMATIC NAME: ethyl 3-[furan-2-ylmethyl-[5-(2-methylsulfanylpyrimidin-4-yl)thiophen-2-yl]sulfonyl-amino]propanoate
MOLECULAR FORMULA: C19H21N3O5S3
MOLECULAR WEIGHT: 467.58214
SMILES: CCOC(=O)CCN(CC1=CC=CO1)S(=O)(=O)C2=CC=C(S2)C3=NC(=NC=C3)SC
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Product OPENEYE NAME: 1-methyl-3-[(5-oct-1-ynylpyridine-3-carbonyl)amino]thiourea
CAS Name: 1-methyl-3-[[(5-oct-1-ynyl-3-pyridinyl)-oxomethyl]amino]thiourea
IUPAC NAME: 1-methyl-3-[(5-oct-1-ynylpyridine-3-carbonyl)amino]thiourea
SYSTEMATIC NAME: 1-methyl-3-[(5-oct-1-ynylpyridin-3-yl)carbonylamino]thiourea
MOLECULAR FORMULA: C16H22N4OS
MOLECULAR WEIGHT: 318.43708
SMILES: CCCCCCC#CC1=CC(=CN=C1)C(=O)NNC(=S)NC
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Product OPENEYE NAME: 2-phenyl-5-(2-pyridyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CAS Name: 2-phenyl-5-(2-pyridinyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
IUPAC NAME: 2-phenyl-5-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SYSTEMATIC NAME: 2-phenyl-5-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
MOLECULAR FORMULA: C18H11F3N4
MOLECULAR WEIGHT: 340.30195
SMILES: C1=CC=C(C=C1)C2=NN3C(=CC(=NC3=C2)C4=CC=CC=N4)C(F)(F)F
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Product OPENEYE NAME: 2-cyclopropyl-5-(2-pyridyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CAS Name: 2-cyclopropyl-5-(2-pyridinyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
IUPAC NAME: 2-cyclopropyl-5-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SYSTEMATIC NAME: 2-cyclopropyl-5-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
MOLECULAR FORMULA: C15H11F3N4
MOLECULAR WEIGHT: 304.26985
SMILES: C1CC1C2=NN3C(=CC(=NC3=C2)C4=CC=CC=N4)C(F)(F)F
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Product OPENEYE NAME: (4-chlorophenyl) 3-[(4-chlorophenyl)sulfonyl-(2-furylmethyl)amino]propanoate
CAS Name: 3-[(4-chlorophenyl)sulfonyl-(2-furanylmethyl)amino]propanoic acid (4-chlorophenyl) ester
IUPAC NAME: (4-chlorophenyl) 3-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]propanoate
SYSTEMATIC NAME: (4-chlorophenyl) 3-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]propanoate
MOLECULAR FORMULA: C20H17Cl2NO5S
MOLECULAR WEIGHT: 454.32368
SMILES: C1=COC(=C1)CN(CCC(=O)OC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 2-methyl-5-(2-pyridyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CAS Name: 2-methyl-5-(2-pyridinyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
IUPAC NAME: 2-methyl-5-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SYSTEMATIC NAME: 2-methyl-5-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
MOLECULAR FORMULA: C13H9F3N4
MOLECULAR WEIGHT: 278.23257
SMILES: CC1=NN2C(=CC(=NC2=C1)C3=CC=CC=N3)C(F)(F)F
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Product OPENEYE NAME: 3-[5-[(4-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-5-oct-1-ynyl-pyridine
CAS Name: 3-[5-[(4-chlorophenyl)methylthio]-4-methyl-1,2,4-triazol-3-yl]-5-oct-1-ynylpyridine
IUPAC NAME: 3-[5-[(4-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-5-oct-1-ynylpyridine
SYSTEMATIC NAME: 3-[5-[(4-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-5-oct-1-ynyl-pyridine
MOLECULAR FORMULA: C23H25ClN4S
MOLECULAR WEIGHT: 424.9894
SMILES: CCCCCCC#CC1=CC(=CN=C1)C2=NN=C(N2C)SCC3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 3-(cyclopentoxy)-N'-hydroxy-4-methoxy-benzamidine
CAS Name: 3-cyclopentyloxy-N'-hydroxy-4-methoxybenzenecarboximidamide
IUPAC NAME: 3-cyclopentyloxy-N'-hydroxy-4-methoxybenzenecarboximidamide
SYSTEMATIC NAME: 3-cyclopentyloxy-4-methoxy-N'-oxidanyl-benzenecarboximidamide
MOLECULAR FORMULA: C13H18N2O3
MOLECULAR WEIGHT: 250.29362
SMILES: COC1=C(C=C(C=C1)C(=NO)N)OC2CCCC2
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Product OPENEYE NAME: N-(2,4-difluorophenyl)-2,1,3-benzoxadiazole-5-carboxamide
CAS Name: N-(2,4-difluorophenyl)-2,1,3-benzoxadiazole-5-carboxamide
IUPAC NAME: N-(2,4-difluorophenyl)-2,1,3-benzoxadiazole-5-carboxamide
SYSTEMATIC NAME: N-[2,4-bis(fluoranyl)phenyl]-2,1,3-benzoxadiazole-5-carboxamide
MOLECULAR FORMULA: C13H7F2N3O2
MOLECULAR WEIGHT: 275.210386
SMILES: C1=CC2=NON=C2C=C1C(=O)NC3=C(C=C(C=C3)F)F
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Product OPENEYE NAME: N-(4-chlorophenyl)-5-[5-(trifluoromethyl)isoxazol-3-yl]thiophene-2-sulfonamide
CAS Name: N-(4-chlorophenyl)-5-[5-(trifluoromethyl)-3-isoxazolyl]-2-thiophenesulfonamide
IUPAC NAME: N-(4-chlorophenyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
SYSTEMATIC NAME: N-(4-chlorophenyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
MOLECULAR FORMULA: C14H8ClF3N2O3S2
MOLECULAR WEIGHT: 408.80313
SMILES: C1=CC(=CC=C1NS(=O)(=O)C2=CC=C(S2)C3=NOC(=C3)C(F)(F)F)Cl
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Product OPENEYE NAME: [[amino-[3-(cyclopentoxy)-4-methoxy-phenyl]methylene]amino] N-phenylcarbamate
CAS Name: N-phenylcarbamic acid [[amino-(3-cyclopentyloxy-4-methoxyphenyl)methylidene]amino] ester
IUPAC NAME: [[amino-(3-cyclopentyloxy-4-methoxyphenyl)methylidene]amino] N-phenylcarbamate
SYSTEMATIC NAME: [[azanyl-(3-cyclopentyloxy-4-methoxy-phenyl)methylidene]amino] N-phenylcarbamate
MOLECULAR FORMULA: C20H23N3O4
MOLECULAR WEIGHT: 369.41432
SMILES: COC1=C(C=C(C=C1)C(=NOC(=O)NC2=CC=CC=C2)N)OC3CCCC3
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Product OPENEYE NAME: 2-(1-benzhydrylazetidin-3-yl)sulfanyl-N-[(4-nitrophenyl)methyleneamino]acetamide
CAS Name: 2-[[1-(diphenylmethyl)-3-azetidinyl]thio]-N-[(4-nitrophenyl)methylideneamino]acetamide
IUPAC NAME: 2-(1-benzhydrylazetidin-3-yl)sulfanyl-N-[(4-nitrophenyl)methylideneamino]acetamide
SYSTEMATIC NAME: 2-[1-(diphenylmethyl)azetidin-3-yl]sulfanyl-N-[(4-nitrophenyl)methylideneamino]ethanamide
MOLECULAR FORMULA: C25H24N4O3S
MOLECULAR WEIGHT: 460.54806
SMILES: C1C(CN1C(C2=CC=CC=C2)C3=CC=CC=C3)SCC(=O)NN=CC4=CC=C(C=C4)[N+](=O)[O-]
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Product OPENEYE NAME: 2-[[4-methyl-5-(5-oct-1-ynyl-3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide
CAS Name: 2-[[4-methyl-5-(5-oct-1-ynyl-3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-phenylacetamide
IUPAC NAME: 2-[[4-methyl-5-(5-oct-1-ynylpyridin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
SYSTEMATIC NAME: 2-[[4-methyl-5-(5-oct-1-ynylpyridin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide
MOLECULAR FORMULA: C24H27N5OS
MOLECULAR WEIGHT: 433.56908
SMILES: CCCCCCC#CC1=CC(=CN=C1)C2=NN=C(N2C)SCC(=O)NC3=CC=CC=C3
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