Wednesday, October 31, 2012

All Chemical Compounds Information




Product OPENEYE NAME: N-[1-[(2-chloro-6-fluoro-phenyl)methyl]-4-piperidyl]-5-methyl-isoxazole-3-carboxamide
CAS Name: N-[1-[(2-chloro-6-fluorophenyl)methyl]-4-piperidinyl]-5-methyl-3-isoxazolecarboxamide
IUPAC NAME: N-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
SYSTEMATIC NAME: N-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
MOLECULAR FORMULA: C17H19ClFN3O2
MOLECULAR WEIGHT: 351.803063
SMILES: CC1=CC(=NO1)C(=O)NC2CCN(CC2)CC3=C(C=CC=C3Cl)F
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Product OPENEYE NAME: N-[1-[(2-chloro-6-fluoro-phenyl)methyl]-4-piperidyl]-5-methyl-1-phenyl-pyrazole-3-carboxamide
CAS Name: N-[1-[(2-chloro-6-fluorophenyl)methyl]-4-piperidinyl]-5-methyl-1-phenyl-3-pyrazolecarboxamide
IUPAC NAME: N-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-5-methyl-1-phenylpyrazole-3-carboxamide
SYSTEMATIC NAME: N-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperidin-4-yl]-5-methyl-1-phenyl-pyrazole-3-carboxamide
MOLECULAR FORMULA: C23H24ClFN4O
MOLECULAR WEIGHT: 426.914263
SMILES: CC1=CC(=NN1C2=CC=CC=C2)C(=O)NC3CCN(CC3)CC4=C(C=CC=C4Cl)F
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Product OPENEYE NAME: N-[1-[(2-chloro-6-fluoro-phenyl)methyl]-4-piperidyl]-3,4-dimethoxy-benzamide
CAS Name: N-[1-[(2-chloro-6-fluorophenyl)methyl]-4-piperidinyl]-3,4-dimethoxybenzamide
IUPAC NAME: N-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-3,4-dimethoxybenzamide
SYSTEMATIC NAME: N-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperidin-4-yl]-3,4-dimethoxy-benzamide
MOLECULAR FORMULA: C21H24ClFN2O3
MOLECULAR WEIGHT: 406.878263
SMILES: COC1=C(C=C(C=C1)C(=O)NC2CCN(CC2)CC3=C(C=CC=C3Cl)F)OC
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Product OPENEYE NAME: 2-[2-[[1-[(2-chloro-6-fluoro-phenyl)methyl]-4-piperidyl]amino]-2-oxo-ethyl]sulfanylacetic acid
CAS Name: 2-[[2-[[1-[(2-chloro-6-fluorophenyl)methyl]-4-piperidinyl]amino]-2-oxoethyl]thio]acetic acid
IUPAC NAME: 2-[2-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]sulfanylacetic acid
SYSTEMATIC NAME: 2-[2-[[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperidin-4-yl]amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid
MOLECULAR FORMULA: C16H20ClFN2O3S
MOLECULAR WEIGHT: 374.858003
SMILES: C1CN(CCC1NC(=O)CSCC(=O)O)CC2=C(C=CC=C2Cl)F
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Product OPENEYE NAME: 2-[2-[[1-[(2-chloro-6-fluoro-phenyl)methyl]-4-piperidyl]amino]-2-oxo-ethoxy]acetic acid
CAS Name: 2-[2-[[1-[(2-chloro-6-fluorophenyl)methyl]-4-piperidinyl]amino]-2-oxoethoxy]acetic acid
IUPAC NAME: 2-[2-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethoxy]acetic acid
SYSTEMATIC NAME: 2-[2-[[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperidin-4-yl]amino]-2-oxidanylidene-ethoxy]ethanoic acid
MOLECULAR FORMULA: C16H20ClFN2O4
MOLECULAR WEIGHT: 358.792403
SMILES: C1CN(CCC1NC(=O)COCC(=O)O)CC2=C(C=CC=C2Cl)F
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Product OPENEYE NAME: 5-[[1-[(2-chloro-6-fluoro-phenyl)methyl]-4-piperidyl]amino]-3,3-dimethyl-5-oxo-pentanoic acid
CAS Name: 5-[[1-[(2-chloro-6-fluorophenyl)methyl]-4-piperidinyl]amino]-3,3-dimethyl-5-oxopentanoic acid
IUPAC NAME: 5-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]amino]-3,3-dimethyl-5-oxopentanoic acid
SYSTEMATIC NAME: 5-[[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperidin-4-yl]amino]-3,3-dimethyl-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C19H26ClFN2O3
MOLECULAR WEIGHT: 384.872743
SMILES: CC(C)(CC(=O)NC1CCN(CC1)CC2=C(C=CC=C2Cl)F)CC(=O)O
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Product OPENEYE NAME: 3-[[1-[(2-chloro-6-fluoro-phenyl)methyl]-4-piperidyl]carbamoyl]pyrazine-2-carboxylic acid
CAS Name: 3-[[[1-[(2-chloro-6-fluorophenyl)methyl]-4-piperidinyl]amino]-oxomethyl]-2-pyrazinecarboxylic acid
IUPAC NAME: 3-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]carbamoyl]pyrazine-2-carboxylic acid
SYSTEMATIC NAME: 3-[[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperidin-4-yl]carbamoyl]pyrazine-2-carboxylic acid
MOLECULAR FORMULA: C18H18ClFN4O3
MOLECULAR WEIGHT: 392.811923
SMILES: C1CN(CCC1NC(=O)C2=NC=CN=C2C(=O)O)CC3=C(C=CC=C3Cl)F
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Product OPENEYE NAME: 1-[4-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-3-phenyl-urea
CAS Name: 1-[4-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)-3-pyrazolyl]-3-phenylurea
IUPAC NAME: 1-[4-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-3-phenylurea
SYSTEMATIC NAME: 1-[4-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-3-phenyl-urea
MOLECULAR FORMULA: C18H14F4N4O
MOLECULAR WEIGHT: 378.323573
SMILES: CN1C(=C(C(=N1)C(F)(F)F)C2=CC=C(C=C2)F)NC(=O)NC3=CC=CC=C3
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Product OPENEYE NAME: 1-(4-fluorophenyl)-3-[4-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]urea
CAS Name: 1-(4-fluorophenyl)-3-[4-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)-3-pyrazolyl]urea
IUPAC NAME: 1-(4-fluorophenyl)-3-[4-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]urea
SYSTEMATIC NAME: 1-(4-fluorophenyl)-3-[4-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]urea
MOLECULAR FORMULA: C18H13F5N4O
MOLECULAR WEIGHT: 396.314036
SMILES: CN1C(=C(C(=N1)C(F)(F)F)C2=CC=C(C=C2)F)NC(=O)NC3=CC=C(C=C3)F
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Product OPENEYE NAME: 1-[4-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-3-(p-tolylsulfonyl)urea
CAS Name: 1-[4-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)-3-pyrazolyl]-3-(4-methylphenyl)sulfonylurea
IUPAC NAME: 1-[4-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-3-(4-methylphenyl)sulfonylurea
SYSTEMATIC NAME: 1-[4-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-3-(4-methylphenyl)sulfonyl-urea
MOLECULAR FORMULA: C19H16F4N4O3S
MOLECULAR WEIGHT: 456.413953
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=C(C(=NN2C)C(F)(F)F)C3=CC=C(C=C3)F
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Product OPENEYE NAME: 1-(4-fluorophenyl)-3-[2-methyl-5-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]urea
CAS Name: 1-(4-fluorophenyl)-3-[2-methyl-5-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]-3-pyrazolyl]urea
IUPAC NAME: 1-(4-fluorophenyl)-3-[2-methyl-5-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]urea
SYSTEMATIC NAME: 1-(4-fluorophenyl)-3-[2-methyl-5-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]urea
MOLECULAR FORMULA: C19H13F7N4O
MOLECULAR WEIGHT: 446.321542
SMILES: CN1C(=C(C(=N1)C(F)(F)F)C2=CC(=CC=C2)C(F)(F)F)NC(=O)NC3=CC=C(C=C3)F
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Product OPENEYE NAME: 1-[2-methyl-5-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-3-(p-tolylsulfonyl)urea
CAS Name: 1-(4-methylphenyl)sulfonyl-3-[2-methyl-5-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]-3-pyrazolyl]urea
IUPAC NAME: 1-(4-methylphenyl)sulfonyl-3-[2-methyl-5-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]urea
SYSTEMATIC NAME: 1-(4-methylphenyl)sulfonyl-3-[2-methyl-5-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]urea
MOLECULAR FORMULA: C20H16F6N4O3S
MOLECULAR WEIGHT: 506.421459
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=C(C(=NN2C)C(F)(F)F)C3=CC(=CC=C3)C(F)(F)F
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Product OPENEYE NAME: N-(4-fluorophenyl)-2-[2-(4-methoxyanilino)-2-oxo-ethyl]-3-oxo-piperazine-1-carboxamide
CAS Name: N-(4-fluorophenyl)-2-[2-(4-methoxyanilino)-2-oxoethyl]-3-oxo-1-piperazinecarboxamide
IUPAC NAME: N-(4-fluorophenyl)-2-[2-(4-methoxyanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide
SYSTEMATIC NAME: N-(4-fluorophenyl)-2-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-3-oxidanylidene-piperazine-1-carboxamide
MOLECULAR FORMULA: C20H21FN4O4
MOLECULAR WEIGHT: 400.403543
SMILES: COC1=CC=C(C=C1)NC(=O)CC2C(=O)NCCN2C(=O)NC3=CC=C(C=C3)F
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Product OPENEYE NAME: 6-(methoxymethyl)-2-phenacylsulfanyl-1H-pyrimidin-4-one
CAS Name: 6-(methoxymethyl)-2-(phenacylthio)-1H-pyrimidin-4-one
IUPAC NAME: 6-(methoxymethyl)-2-phenacylsulfanyl-1H-pyrimidin-4-one
SYSTEMATIC NAME: 6-(methoxymethyl)-2-phenacylsulfanyl-1H-pyrimidin-4-one
MOLECULAR FORMULA: C14H14N2O3S
MOLECULAR WEIGHT: 290.33756
SMILES: COCC1=CC(=O)N=C(N1)SCC(=O)C2=CC=CC=C2
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Product OPENEYE NAME: 2-[2-(benzofuran-2-yl)-2-oxo-ethyl]sulfanyl-6-(methoxymethyl)-1H-pyrimidin-4-one
CAS Name: 2-[[2-(2-benzofuranyl)-2-oxoethyl]thio]-6-(methoxymethyl)-1H-pyrimidin-4-one
IUPAC NAME: 2-[2-(1-benzofuran-2-yl)-2-oxoethyl]sulfanyl-6-(methoxymethyl)-1H-pyrimidin-4-one
SYSTEMATIC NAME: 2-[2-(1-benzofuran-2-yl)-2-oxidanylidene-ethyl]sulfanyl-6-(methoxymethyl)-1H-pyrimidin-4-one
MOLECULAR FORMULA: C16H14N2O4S
MOLECULAR WEIGHT: 330.35836
SMILES: COCC1=CC(=O)N=C(N1)SCC(=O)C2=CC3=CC=CC=C3O2
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Product OPENEYE NAME: 6-(methoxymethyl)-2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-1H-pyrimidin-4-one
CAS Name: 6-(methoxymethyl)-2-[[2-oxo-2-(4-phenylphenyl)ethyl]thio]-1H-pyrimidin-4-one
IUPAC NAME: 6-(methoxymethyl)-2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-1H-pyrimidin-4-one
SYSTEMATIC NAME: 6-(methoxymethyl)-2-[2-oxidanylidene-2-(4-phenylphenyl)ethyl]sulfanyl-1H-pyrimidin-4-one
MOLECULAR FORMULA: C20H18N2O3S
MOLECULAR WEIGHT: 366.43352
SMILES: COCC1=CC(=O)N=C(N1)SCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3
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Product OPENEYE NAME: 6-(methoxymethyl)-2-(2-morpholino-2-oxo-ethyl)sulfanyl-1H-pyrimidin-4-one
CAS Name: 6-(methoxymethyl)-2-[[2-(4-morpholinyl)-2-oxoethyl]thio]-1H-pyrimidin-4-one
IUPAC NAME: 6-(methoxymethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-4-one
SYSTEMATIC NAME: 6-(methoxymethyl)-2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-1H-pyrimidin-4-one
MOLECULAR FORMULA: C12H17N3O4S
MOLECULAR WEIGHT: 299.34608
SMILES: COCC1=CC(=O)N=C(N1)SCC(=O)N2CCOCC2
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Product OPENEYE NAME: 1-[2-(p-tolylsulfonyl)ethyl]-5-(trifluoromethyl)-2,3-dihydro-1,4-diazepine
CAS Name: 1-[2-(4-methylphenyl)sulfonylethyl]-5-(trifluoromethyl)-2,3-dihydro-1,4-diazepine
IUPAC NAME: 1-[2-(4-methylphenyl)sulfonylethyl]-5-(trifluoromethyl)-2,3-dihydro-1,4-diazepine
SYSTEMATIC NAME: 1-[2-(4-methylphenyl)sulfonylethyl]-5-(trifluoromethyl)-2,3-dihydro-1,4-diazepine
MOLECULAR FORMULA: C15H17F3N2O2S
MOLECULAR WEIGHT: 346.36789
SMILES: CC1=CC=C(C=C1)S(=O)(=O)CCN2CCN=C(C=C2)C(F)(F)F
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Product OPENEYE NAME: 1-[2-(p-tolylsulfonyl)ethyl]-4-(2-pyridyl)piperazine
CAS Name: 1-[2-(4-methylphenyl)sulfonylethyl]-4-(2-pyridinyl)piperazine
IUPAC NAME: 1-[2-(4-methylphenyl)sulfonylethyl]-4-pyridin-2-ylpiperazine
SYSTEMATIC NAME: 1-[2-(4-methylphenyl)sulfonylethyl]-4-pyridin-2-yl-piperazine
MOLECULAR FORMULA: C18H23N3O2S
MOLECULAR WEIGHT: 345.45912
SMILES: CC1=CC=C(C=C1)S(=O)(=O)CCN2CCN(CC2)C3=CC=CC=N3
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Product OPENEYE NAME: 1-[2-nitro-4-(trifluoromethyl)phenyl]-4-[2-(p-tolylsulfonyl)ethyl]piperazine
CAS Name: 1-[2-(4-methylphenyl)sulfonylethyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine
IUPAC NAME: 1-[2-(4-methylphenyl)sulfonylethyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine
SYSTEMATIC NAME: 1-[2-(4-methylphenyl)sulfonylethyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine
MOLECULAR FORMULA: C20H22F3N3O4S
MOLECULAR WEIGHT: 457.46659
SMILES: CC1=CC=C(C=C1)S(=O)(=O)CCN2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]
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Product OPENEYE NAME: 1-[2-(2,4-dichlorophenyl)sulfonylethyl]-5-(trifluoromethyl)-2,3-dihydro-1,4-diazepine
CAS Name: 1-[2-(2,4-dichlorophenyl)sulfonylethyl]-5-(trifluoromethyl)-2,3-dihydro-1,4-diazepine
IUPAC NAME: 1-[2-(2,4-dichlorophenyl)sulfonylethyl]-5-(trifluoromethyl)-2,3-dihydro-1,4-diazepine
SYSTEMATIC NAME: 1-[2-(2,4-dichlorophenyl)sulfonylethyl]-5-(trifluoromethyl)-2,3-dihydro-1,4-diazepine
MOLECULAR FORMULA: C14H13Cl2F3N2O2S
MOLECULAR WEIGHT: 401.23143
SMILES: C1CN(C=CC(=N1)C(F)(F)F)CCS(=O)(=O)C2=C(C=C(C=C2)Cl)Cl
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Product OPENEYE NAME: 1-[2-(2,4-dichlorophenyl)sulfonylethyl]-4-(2-pyridyl)piperazine
CAS Name: 1-[2-(2,4-dichlorophenyl)sulfonylethyl]-4-(2-pyridinyl)piperazine
IUPAC NAME: 1-[2-(2,4-dichlorophenyl)sulfonylethyl]-4-pyridin-2-ylpiperazine
SYSTEMATIC NAME: 1-[2-(2,4-dichlorophenyl)sulfonylethyl]-4-pyridin-2-yl-piperazine
MOLECULAR FORMULA: C17H19Cl2N3O2S
MOLECULAR WEIGHT: 400.32266
SMILES: C1CN(CCN1CCS(=O)(=O)C2=C(C=C(C=C2)Cl)Cl)C3=CC=CC=N3
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Product OPENEYE NAME: 1-[2-(2,4-dichlorophenyl)sulfonylethyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine
CAS Name: 1-[2-(2,4-dichlorophenyl)sulfonylethyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine
IUPAC NAME: 1-[2-(2,4-dichlorophenyl)sulfonylethyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine
SYSTEMATIC NAME: 1-[2-(2,4-dichlorophenyl)sulfonylethyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine
MOLECULAR FORMULA: C19H18Cl2F3N3O4S
MOLECULAR WEIGHT: 512.33013
SMILES: C1CN(CCN1CCS(=O)(=O)C2=C(C=C(C=C2)Cl)Cl)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]
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Product OPENEYE NAME: 3-(3,3-dimethyl-2-oxo-butyl)sulfanyl-4-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-one
CAS Name: 3-[(3,3-dimethyl-2-oxobutyl)thio]-4-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-one
IUPAC NAME: 3-(3,3-dimethyl-2-oxobutyl)sulfanyl-4-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-one
SYSTEMATIC NAME: 3-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-4-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-one
MOLECULAR FORMULA: C15H16F3N3O2S
MOLECULAR WEIGHT: 359.36665
SMILES: CC(C)(C)C(=O)CSC1=NNC(=O)N1C2=CC=CC=C2C(F)(F)F
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