LHM
概要
| 表記: | N-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide |
| 組成式: | C15 H16 F N3 O |
| 電荷: | 0 |
| 化学式量: | 273.305 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-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-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 | N(Cc1ccc(cc1)F)C(=O)c2cnn3c2CCCC3 |
| InChI | InChI | 1.03 | InChI=1S/C15H16FN3O/c16-12-6-4-11(5-7-12)9-17-15(20)13-10-18-19-8-2-1-3-14(13)19/h4-7,10H,1-3,8-9H2,(H,17,20) |
| InChIKey | InChI | 1.03 | HVMSJMIBUMLXDJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc(CNC(=O)c2cnn3CCCCc23)cc1 |
| SMILES | CACTVS | 3.385 | Fc1ccc(CNC(=O)c2cnn3CCCCc23)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1CNC(=O)c2cnn3c2CCCC3)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1CNC(=O)c2cnn3c2CCCC3)F |
