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E23

概要
表記:N-(4-tert-butylbenzyl)-2-(trifluoromethyl)benzamide
組成式:C19 H20 F3 N O
電荷:0
化学式量:335.363 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
ACDLabs12.01N-(4-tert-butylbenzyl)-2-(trifluoromethyl)benzamide
OpenEye OEToolkits1.9.2N-[(4-tert-butylphenyl)methyl]-2-(trifluoromethyl)benzamide

化合物記述子(線形表記)

種別プログラムバージョン表記
SMILESACDLabs12.01O=C(NCc1ccc(cc1)C(C)(C)C)c2ccccc2C(F)(F)F
InChIInChI1.03InChI=1S/C19H20F3NO/c1-18(2,3)14-10-8-13(9-11-14)12-23-17(24)15-6-4-5-7-16(15)19(20,21)22/h4-11H,12H2,1-3H3,(H,23,24)
InChIKeyInChI1.03RYYHDFPDKHYSSE-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(C)(C)c1ccc(CNC(=O)c2ccccc2C(F)(F)F)cc1
SMILESCACTVS3.385CC(C)(C)c1ccc(CNC(=O)c2ccccc2C(F)(F)F)cc1
SMILES_CANONICALOpenEye OEToolkits1.9.2CC(C)(C)c1ccc(cc1)CNC(=O)c2ccccc2C(F)(F)F
SMILESOpenEye OEToolkits1.9.2CC(C)(C)c1ccc(cc1)CNC(=O)c2ccccc2C(F)(F)F

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件を2024-07-17に公開中

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