KQE
概要
| 表記: | 6-pyridin-4-yl-3-[3-(trifluoromethyloxy)phenyl]imidazo[1,2-b]pyridazine |
| 組成式: | C18 H11 F3 N4 O |
| 電荷: | 0 |
| 化学式量: | 356.301 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 | 6-pyridin-4-yl-3-[3-(trifluoromethyloxy)phenyl]imidazo[1,2-b]pyridazine |
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/C18H11F3N4O/c19-18(20,21)26-14-3-1-2-13(10-14)16-11-23-17-5-4-15(24-25(16)17)12-6-8-22-9-7-12/h1-11H |
| InChIKey | InChI | 1.03 | SFBZOJORTROAIE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)Oc1cccc(c1)c2cnc3ccc(nn23)c4ccncc4 |
| SMILES | CACTVS | 3.385 | FC(F)(F)Oc1cccc(c1)c2cnc3ccc(nn23)c4ccncc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)OC(F)(F)F)c2cnc3n2nc(cc3)c4ccncc4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)OC(F)(F)F)c2cnc3n2nc(cc3)c4ccncc4 |
