X1Q
概要
| 表記: | ~{N}-[[1-[(~{E})-2-(2-methyl-3-phenyl-phenyl)ethenyl]-1,2,3,4-tetrazol-5-yl]methyl]ethanamine |
| 組成式: | C19 H21 N5 |
| 電荷: | 0 |
| 化学式量: | 319.404 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}-[[1-[(~{E})-2-(2-methyl-3-phenyl-phenyl)ethenyl]-1,2,3,4-tetrazol-5-yl]methyl]ethanamine |
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 | 1.06 | InChI=1S/C19H21N5/c1-3-20-14-19-21-22-23-24(19)13-12-16-10-7-11-18(15(16)2)17-8-5-4-6-9-17/h4-13,20H,3,14H2,1-2H3/b13-12+ |
| InChIKey | InChI | 1.06 | WDSZHUIPBINVDD-OUKQBFOZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCNCc1nnnn1/C=C/c2cccc(c2C)c3ccccc3 |
| SMILES | CACTVS | 3.385 | CCNCc1nnnn1C=Cc2cccc(c2C)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCNCc1nnnn1/C=C/c2cccc(c2C)c3ccccc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCNCc1nnnn1C=Cc2cccc(c2C)c3ccccc3 |
