UM5
概要
| 表記: | N-ethyl-3-(1-methyl-1H-1,2,3-triazol-4-yl)-4-(pyridin-2-ylmethoxy)benzamide |
| 別名: | ~{N}-ethyl-3-(1-methyl-1,2,3-triazol-4-yl)-4-(pyridin-2-ylmethoxy)benzamide |
| 組成式: | C18 H19 N5 O2 |
| 電荷: | 0 |
| 化学式量: | 337.376 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-3-(1-methyl-1,2,3-triazol-4-yl)-4-(pyridin-2-ylmethoxy)benzamide |
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/C18H19N5O2/c1-3-19-18(24)13-7-8-17(25-12-14-6-4-5-9-20-14)15(10-13)16-11-23(2)22-21-16/h4-11H,3,12H2,1-2H3,(H,19,24) |
| InChIKey | InChI | 1.03 | PXCVJESJJFPBNT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCNC(=O)c1ccc(OCc2ccccn2)c(c1)c3cn(C)nn3 |
| SMILES | CACTVS | 3.385 | CCNC(=O)c1ccc(OCc2ccccn2)c(c1)c3cn(C)nn3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCNC(=O)c1ccc(c(c1)c2cn(nn2)C)OCc3ccccn3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCNC(=O)c1ccc(c(c1)c2cn(nn2)C)OCc3ccccn3 |
