I9O
概要
| 表記: | 5-[[3-(trifluoromethyl)phenyl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine |
| 組成式: | C14 H14 F3 N3 |
| 電荷: | 0 |
| 化学式量: | 281.276 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 | 5-[[3-(trifluoromethyl)phenyl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine |
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/C14H14F3N3/c15-14(16,17)11-3-1-2-10(6-11)7-20-5-4-12-13(8-20)19-9-18-12/h1-3,6,9H,4-5,7-8H2,(H,18,19) |
| InChIKey | InChI | 1.06 | FOPKRYDZNCKFAQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)c1cccc(CN2CCc3[nH]cnc3C2)c1 |
| SMILES | CACTVS | 3.385 | FC(F)(F)c1cccc(CN2CCc3[nH]cnc3C2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)C(F)(F)F)CN2CCc3c(nc[nH]3)C2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)C(F)(F)F)CN2CCc3c(nc[nH]3)C2 |
