A1AHH
概要
| 表記: | 2-(4-cyclopropylphenyl)-N-{(1R)-1-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]ethyl}acetamide |
| 組成式: | C20 H21 F3 N2 O2 |
| 電荷: | 0 |
| 化学式量: | 378.388 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | 2-(4-cyclopropylphenyl)-N-{(1R)-1-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]ethyl}acetamide |
| OpenEye OEToolkits | 2.0.7 | 2-(4-cyclopropylphenyl)-~{N}-[(1~{R})-1-[5-[2,2,2-tris(fluoranyl)ethoxy]pyridin-2-yl]ethyl]ethanamide |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | FC(F)(F)COc1cnc(cc1)C(C)NC(=O)Cc1ccc(cc1)C1CC1 |
| InChI | InChI | 1.06 | InChI=1S/C20H21F3N2O2/c1-13(18-9-8-17(11-24-18)27-12-20(21,22)23)25-19(26)10-14-2-4-15(5-3-14)16-6-7-16/h2-5,8-9,11,13,16H,6-7,10,12H2,1H3,(H,25,26)/t13-/m1/s1 |
| InChIKey | InChI | 1.06 | GEYDMBNDOVPFJL-CYBMUJFWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](NC(=O)Cc1ccc(cc1)C2CC2)c3ccc(OCC(F)(F)F)cn3 |
| SMILES | CACTVS | 3.385 | C[CH](NC(=O)Cc1ccc(cc1)C2CC2)c3ccc(OCC(F)(F)F)cn3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](c1ccc(cn1)OCC(F)(F)F)NC(=O)Cc2ccc(cc2)C3CC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(c1ccc(cn1)OCC(F)(F)F)NC(=O)Cc2ccc(cc2)C3CC3 |
