M6U
概要
| 表記: | N-(4-ethylpyridin-3-yl)-2-[6-(trifluoromethyl)pyridin-2-yl]acetamide |
| 組成式: | C15 H14 F3 N3 O |
| 電荷: | 0 |
| 化学式量: | 309.286 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-ethylpyridin-3-yl)-2-[6-(trifluoromethyl)pyridin-2-yl]acetamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(4-ethylpyridin-3-yl)-2-[6-(trifluoromethyl)pyridin-2-yl]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)c1cccc(CC(=O)Nc2cnccc2CC)n1 |
| InChI | InChI | 1.06 | InChI=1S/C15H14F3N3O/c1-2-10-6-7-19-9-12(10)21-14(22)8-11-4-3-5-13(20-11)15(16,17)18/h3-7,9H,2,8H2,1H3,(H,21,22) |
| InChIKey | InChI | 1.06 | WFXWGHHTPVLTRG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1ccncc1NC(=O)Cc2cccc(n2)C(F)(F)F |
| SMILES | CACTVS | 3.385 | CCc1ccncc1NC(=O)Cc2cccc(n2)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCc1ccncc1NC(=O)Cc2cccc(n2)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCc1ccncc1NC(=O)Cc2cccc(n2)C(F)(F)F |
