L9O
概要
| 表記: | (1S)-N-(4-methylpyridin-3-yl)spiro[3.3]heptane-1-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 | (1S)-N-(4-methylpyridin-3-yl)spiro[3.3]heptane-1-carboxamide |
| OpenEye OEToolkits | 2.0.7 | (3~{S})-~{N}-(4-methylpyridin-3-yl)spiro[3.3]heptane-3-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)C1CCC21CCC2 |
| InChI | InChI | 1.06 | InChI=1S/C14H18N2O/c1-10-4-8-15-9-12(10)16-13(17)11-3-7-14(11)5-2-6-14/h4,8-9,11H,2-3,5-7H2,1H3,(H,16,17)/t11-/m1/s1 |
| InChIKey | InChI | 1.06 | XFQCOLJIUXXMKV-LLVKDONJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccncc1NC(=O)[C@H]2CCC23CCC3 |
| SMILES | CACTVS | 3.385 | Cc1ccncc1NC(=O)[CH]2CCC23CCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)[C@H]2CCC23CCC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)C2CCC23CCC3 |
