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1IZ

概要
表記:N-{[(1R,2S)-2-{2-[(pyridin-3-yl)oxy]ethyl}cyclohexyl]methyl}-3-(trifluoromethoxy)benzamide
組成式:C22 H25 F3 N2 O3
電荷:0
化学式量:422.441 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-{[(1R,2S)-2-{2-[(pyridin-3-yl)oxy]ethyl}cyclohexyl]methyl}-3-(trifluoromethoxy)benzamide
OpenEye OEToolkits2.0.7~{N}-[[(1~{R},2~{S})-2-(2-pyridin-3-yloxyethyl)cyclohexyl]methyl]-3-(trifluoromethyloxy)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)Oc1cccc(c1)C(=O)NCC1CCCCC1CCOc1cccnc1
InChIInChI1.03InChI=1S/C22H25F3N2O3/c23-22(24,25)30-19-8-3-7-17(13-19)21(28)27-14-18-6-2-1-5-16(18)10-12-29-20-9-4-11-26-15-20/h3-4,7-9,11,13,15-16,18H,1-2,5-6,10,12,14H2,(H,27,28)/t16-,18-/m0/s1
InChIKeyInChI1.03IERBKCIYEFEAOR-WMZOPIPTSA-N
SMILES_CANONICALCACTVS3.385FC(F)(F)Oc1cccc(c1)C(=O)NC[C@@H]2CCCC[C@H]2CCOc3cccnc3
SMILESCACTVS3.385FC(F)(F)Oc1cccc(c1)C(=O)NC[CH]2CCCC[CH]2CCOc3cccnc3
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(cc(c1)OC(F)(F)F)C(=O)NC[C@@H]2CCCC[C@H]2CCOc3cccnc3
SMILESOpenEye OEToolkits2.0.7c1cc(cc(c1)OC(F)(F)F)C(=O)NCC2CCCCC2CCOc3cccnc3

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件を2024-07-10に公開中

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