L3I
概要
| 表記: | 2-(3-chlorophenyl)-2-methyl-N-(4-methylpyridin-3-yl)propanamide |
| 組成式: | C16 H17 Cl N2 O |
| 電荷: | 0 |
| 化学式量: | 288.772 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-(3-chlorophenyl)-2-methyl-N-(4-methylpyridin-3-yl)propanamide |
| OpenEye OEToolkits | 2.0.7 | 2-(3-chlorophenyl)-2-methyl-~{N}-(4-methylpyridin-3-yl)propanamide |
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)C(C)(C)c1cccc(Cl)c1 |
| InChI | InChI | 1.06 | InChI=1S/C16H17ClN2O/c1-11-7-8-18-10-14(11)19-15(20)16(2,3)12-5-4-6-13(17)9-12/h4-10H,1-3H3,(H,19,20) |
| InChIKey | InChI | 1.06 | QOWQEKIGADCHLL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccncc1NC(=O)C(C)(C)c2cccc(Cl)c2 |
| SMILES | CACTVS | 3.385 | Cc1ccncc1NC(=O)C(C)(C)c2cccc(Cl)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)C(C)(C)c2cccc(c2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)C(C)(C)c2cccc(c2)Cl |
