LVM
概要
表記: | N-(4-methylpyridin-3-yl)-2-(spiro[2.3]hexan-5-yl)acetamide |
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 | N-(4-methylpyridin-3-yl)-2-(spiro[2.3]hexan-5-yl)acetamide |
OpenEye OEToolkits | 2.0.7 | ~{N}-(4-methylpyridin-3-yl)-2-spiro[2.3]hexan-5-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 | O=C(Nc1cnccc1C)CC1CC2(CC2)C1 |
InChI | InChI | 1.06 | InChI=1S/C14H18N2O/c1-10-2-5-15-9-12(10)16-13(17)6-11-7-14(8-11)3-4-14/h2,5,9,11H,3-4,6-8H2,1H3,(H,16,17) |
InChIKey | InChI | 1.06 | BEZLDJLMZNYTJV-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccncc1NC(=O)CC2CC3(CC3)C2 |
SMILES | CACTVS | 3.385 | Cc1ccncc1NC(=O)CC2CC3(CC3)C2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)CC2CC3(C2)CC3 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)CC2CC3(C2)CC3 |