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0T4

概要
表記:3-(hydroxyamino)-N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)benzamide
組成式:C16 H15 F3 N2 O2
電荷:0
化学式量:324.298 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
ACDLabs12.013-(hydroxyamino)-N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)benzamide
OpenEye OEToolkits1.7.63-(oxidanylamino)-N-(1-phenylethyl)-5-(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
SMILESACDLabs12.01FC(F)(F)c1cc(cc(NO)c1)C(=O)NC(c2ccccc2)C
InChIInChI1.03InChI=1S/C16H15F3N2O2/c1-10(11-5-3-2-4-6-11)20-15(22)12-7-13(16(17,18)19)9-14(8-12)21-23/h2-10,21,23H,1H3,(H,20,22)/t10-/m1/s1
InChIKeyInChI1.03NCRAJPMYWKMEMC-SNVBAGLBSA-N
SMILES_CANONICALCACTVS3.370C[C@@H](NC(=O)c1cc(NO)cc(c1)C(F)(F)F)c2ccccc2
SMILESCACTVS3.370C[CH](NC(=O)c1cc(NO)cc(c1)C(F)(F)F)c2ccccc2
SMILES_CANONICALOpenEye OEToolkits1.7.6CC(c1ccccc1)NC(=O)c2cc(cc(c2)NO)C(F)(F)F
SMILESOpenEye OEToolkits1.7.6CC(c1ccccc1)NC(=O)c2cc(cc(c2)NO)C(F)(F)F

225399

件を2024-09-25に公開中

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