N9I
概要
| 表記: | 2-(4-methylpyridin-3-yl)-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide |
| 組成式: | C17 H19 N3 O |
| 電荷: | 0 |
| 化学式量: | 281.352 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-methylpyridin-3-yl)-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide |
| OpenEye OEToolkits | 2.0.7 | 2-(4-methylpyridin-3-yl)-~{N}-(1,2,3,4-tetrahydroisoquinolin-8-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 | Cc1ccncc1CC(=O)Nc1cccc2CCNCc21 |
| InChI | InChI | 1.06 | InChI=1S/C17H19N3O/c1-12-5-7-18-10-14(12)9-17(21)20-16-4-2-3-13-6-8-19-11-15(13)16/h2-5,7,10,19H,6,8-9,11H2,1H3,(H,20,21) |
| InChIKey | InChI | 1.06 | IICDEQKQIDLVOQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccncc1CC(=O)Nc2cccc3CCNCc23 |
| SMILES | CACTVS | 3.385 | Cc1ccncc1CC(=O)Nc2cccc3CCNCc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1CC(=O)Nc2cccc3c2CNCC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1CC(=O)Nc2cccc3c2CNCC3 |
