KQL
概要
| 表記: | N-(4-methylpyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide |
| 組成式: | C15 H13 F3 N2 O |
| 電荷: | 0 |
| 化学式量: | 294.272 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 | N-(4-methylpyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(4-methylpyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]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 | O=C(Nc1cnccc1C)Cc1cccc(c1)C(F)(F)F |
| InChI | InChI | 1.06 | InChI=1S/C15H13F3N2O/c1-10-5-6-19-9-13(10)20-14(21)8-11-3-2-4-12(7-11)15(16,17)18/h2-7,9H,8H2,1H3,(H,20,21) |
| InChIKey | InChI | 1.06 | XYFCSWHALYQBPC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccncc1NC(=O)Cc2cccc(c2)C(F)(F)F |
| SMILES | CACTVS | 3.385 | Cc1ccncc1NC(=O)Cc2cccc(c2)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)Cc2cccc(c2)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)Cc2cccc(c2)C(F)(F)F |
