N7L
概要
| 表記: | (1R,2R)-2-(fluoromethyl)-N-(4-methylpyridin-3-yl)cyclopropane-1-carboxamide |
| 組成式: | C11 H13 F N2 O |
| 電荷: | 0 |
| 化学式量: | 208.232 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 | (1R,2R)-2-(fluoromethyl)-N-(4-methylpyridin-3-yl)cyclopropane-1-carboxamide |
| OpenEye OEToolkits | 2.0.7 | (1~{R},2~{R})-2-(fluoranylmethyl)-~{N}-(4-methylpyridin-3-yl)cyclopropane-1-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)C1CC1CF |
| InChI | InChI | 1.06 | InChI=1S/C11H13FN2O/c1-7-2-3-13-6-10(7)14-11(15)9-4-8(9)5-12/h2-3,6,8-9H,4-5H2,1H3,(H,14,15)/t8-,9+/m0/s1 |
| InChIKey | InChI | 1.06 | TYFFVSFZMUBUOV-DTWKUNHWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccncc1NC(=O)[C@@H]2C[C@H]2CF |
| SMILES | CACTVS | 3.385 | Cc1ccncc1NC(=O)[CH]2C[CH]2CF |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)[C@@H]2C[C@H]2CF |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)C2CC2CF |
