L4N
概要
| 表記: | (5R)-N-(4-methylpyridin-3-yl)spiro[2.4]heptane-5-carboxamide |
| 組成式: | C14 H18 N2 O |
| 電荷: | 0 |
| 化学式量: | 230.306 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 | (5R)-N-(4-methylpyridin-3-yl)spiro[2.4]heptane-5-carboxamide |
| OpenEye OEToolkits | 2.0.7 | (6~{R})-~{N}-(4-methylpyridin-3-yl)spiro[2.4]heptane-6-carboxamide |
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)C1CCC2(CC2)C1 |
| InChI | InChI | 1.06 | InChI=1S/C14H18N2O/c1-10-3-7-15-9-12(10)16-13(17)11-2-4-14(8-11)5-6-14/h3,7,9,11H,2,4-6,8H2,1H3,(H,16,17)/t11-/m1/s1 |
| InChIKey | InChI | 1.06 | FNCISWRYQRGLKF-LLVKDONJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccncc1NC(=O)[C@@H]2CCC3(CC3)C2 |
| SMILES | CACTVS | 3.385 | Cc1ccncc1NC(=O)[CH]2CCC3(CC3)C2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)[C@@H]2CCC3(C2)CC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)C2CCC3(C2)CC3 |
