LB0
概要
| 表記: | (1r,3r)-3-cyclopropyl-N-(4-methylpyridin-3-yl)cyclobutane-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 | (1r,3r)-3-cyclopropyl-N-(4-methylpyridin-3-yl)cyclobutane-1-carboxamide |
| OpenEye OEToolkits | 2.0.7 | 3-cyclopropyl-~{N}-(4-methylpyridin-3-yl)cyclobutane-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)C1CC(C1)C1CC1 |
| InChI | InChI | 1.06 | InChI=1S/C14H18N2O/c1-9-4-5-15-8-13(9)16-14(17)12-6-11(7-12)10-2-3-10/h4-5,8,10-12H,2-3,6-7H2,1H3,(H,16,17)/t11-,12- |
| InChIKey | InChI | 1.06 | SPZNGMCOZXKTMM-HAQNSBGRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccncc1NC(=O)[C@H]2C[C@@H](C2)C3CC3 |
| SMILES | CACTVS | 3.385 | Cc1ccncc1NC(=O)[CH]2C[CH](C2)C3CC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)C2CC(C2)C3CC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)C2CC(C2)C3CC3 |
