N5W
概要
| 表記: | 1-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole |
| 組成式: | C17 H13 F3 N2 |
| 電荷: | 0 |
| 化学式量: | 302.294 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 | 1-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole |
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/C17H13F3N2/c18-17(19,20)16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-22-10-9-21-12-22/h1-10,12H,11H2 |
| InChIKey | InChI | 1.03 | ZGVRGKQQDLAUKP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)c1ccc(cc1)c2ccc(Cn3ccnc3)cc2 |
| SMILES | CACTVS | 3.385 | FC(F)(F)c1ccc(cc1)c2ccc(Cn3ccnc3)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1Cn2ccnc2)c3ccc(cc3)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1Cn2ccnc2)c3ccc(cc3)C(F)(F)F |
