L7Q
概要
| 表記: | 3-methyl-N-(4-methylpyridin-3-yl)-3-phenylbutanamide |
| 組成式: | C17 H20 N2 O |
| 電荷: | 0 |
| 化学式量: | 268.354 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 | 3-methyl-N-(4-methylpyridin-3-yl)-3-phenylbutanamide |
| OpenEye OEToolkits | 2.0.7 | 3-methyl-~{N}-(4-methylpyridin-3-yl)-3-phenyl-butanamide |
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)CC(C)(C)c1ccccc1 |
| InChI | InChI | 1.06 | InChI=1S/C17H20N2O/c1-13-9-10-18-12-15(13)19-16(20)11-17(2,3)14-7-5-4-6-8-14/h4-10,12H,11H2,1-3H3,(H,19,20) |
| InChIKey | InChI | 1.06 | BLCPNJMZJGFGAP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccncc1NC(=O)CC(C)(C)c2ccccc2 |
| SMILES | CACTVS | 3.385 | Cc1ccncc1NC(=O)CC(C)(C)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)CC(C)(C)c2ccccc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)CC(C)(C)c2ccccc2 |
