JRF
概要
| 表記: | 1-Hydroxy-3-(trifluoromethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile |
| 別名: | 1-Hydroxy-3-trifluoromethyl-benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile |
| 組成式: | C13 H6 F3 N3 O |
| 電荷: | 0 |
| 化学式量: | 277.201 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-oxidanyl-3-(trifluoromethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile |
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/C13H6F3N3O/c14-13(15,16)8-5-11(20)19-10-4-2-1-3-9(10)18-12(19)7(8)6-17/h1-5,20H |
| InChIKey | InChI | 1.06 | NSMPADIWUYJQKF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cc(c(C#N)c2nc3ccccc3n12)C(F)(F)F |
| SMILES | CACTVS | 3.385 | Oc1cc(c(C#N)c2nc3ccccc3n12)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)nc3n2c(cc(c3C#N)C(F)(F)F)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)nc3n2c(cc(c3C#N)C(F)(F)F)O |
