UME
概要
| 表記: | N-ethyl-2-(1-methyl-1H-1,2,3-triazol-4-yl)-6-(1-phenylethyl)isonicotinamide |
| 別名: | ~{N}-ethyl-2-(1-methyl-1,2,3-triazol-4-yl)-6-(1-phenylethyl)pyridine-4-carboxamide |
| 組成式: | C19 H21 N5 O |
| 電荷: | 0 |
| 化学式量: | 335.403 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| OpenEye OEToolkits | 2.0.7 | ~{N}-ethyl-2-(1-methyl-1,2,3-triazol-4-yl)-6-(1-phenylethyl)pyridine-4-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 |
| InChI | InChI | 1.03 | InChI=1S/C19H21N5O/c1-4-20-19(25)15-10-16(13(2)14-8-6-5-7-9-14)21-17(11-15)18-12-24(3)23-22-18/h5-13H,4H2,1-3H3,(H,20,25)/t13-/m0/s1 |
| InChIKey | InChI | 1.03 | LOEKXZDIARTPMM-ZDUSSCGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCNC(=O)c1cc(nc(c1)c2cn(C)nn2)[C@@H](C)c3ccccc3 |
| SMILES | CACTVS | 3.385 | CCNC(=O)c1cc(nc(c1)c2cn(C)nn2)[CH](C)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCNC(=O)c1cc(nc(c1)C(C)c2ccccc2)c3cn(nn3)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCNC(=O)c1cc(nc(c1)C(C)c2ccccc2)c3cn(nn3)C |
