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概要
表記:1-[4-methyl-2-(trifluoromethyl)phenyl]-2-phenyl-imidazole
組成式:C17 H13 F3 N2
電荷:0
化学式量:302.294 Da
分子種別:non-polymer

化合物名

プログラムバージョン表記
OpenEye OEToolkits2.0.71-[4-methyl-2-(trifluoromethyl)phenyl]-2-phenyl-imidazole

化合物記述子(線形表記)

種別プログラムバージョン表記
InChIInChI1.03InChI=1S/C17H13F3N2/c1-12-7-8-15(14(11-12)17(18,19)20)22-10-9-21-16(22)13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyInChI1.03UBEVGQDCLDVUPA-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1ccc(n2ccnc2c3ccccc3)c(c1)C(F)(F)F
SMILESCACTVS3.385Cc1ccc(n2ccnc2c3ccccc3)c(c1)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1ccc(c(c1)C(F)(F)F)n2ccnc2c3ccccc3
SMILESOpenEye OEToolkits2.0.7Cc1ccc(c(c1)C(F)(F)F)n2ccnc2c3ccccc3

222415

件を2024-07-10に公開中

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