KQX
概要
| 表記: | 2-(4-methylphenyl)-N-(4-methylpyridin-3-yl)acetamide |
| 組成式: | C15 H16 N2 O |
| 電荷: | 0 |
| 化学式量: | 240.3 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-methylphenyl)-N-(4-methylpyridin-3-yl)acetamide |
| OpenEye OEToolkits | 2.0.7 | 2-(4-methylphenyl)-~{N}-(4-methylpyridin-3-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 | O=C(Nc1cnccc1C)Cc1ccc(C)cc1 |
| InChI | InChI | 1.06 | InChI=1S/C15H16N2O/c1-11-3-5-13(6-4-11)9-15(18)17-14-10-16-8-7-12(14)2/h3-8,10H,9H2,1-2H3,(H,17,18) |
| InChIKey | InChI | 1.06 | ADHDKMXDJWXBNY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(CC(=O)Nc2cnccc2C)cc1 |
| SMILES | CACTVS | 3.385 | Cc1ccc(CC(=O)Nc2cnccc2C)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)CC(=O)Nc2cnccc2C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)CC(=O)Nc2cnccc2C |
