KB8
概要
| 表記: | 6-methyl-4-(piperazin-1-yl)-2-(trifluoromethyl)quinoline |
| 組成式: | C15 H16 F3 N3 |
| 電荷: | 0 |
| 化学式量: | 295.303 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | 6-methyl-4-(piperazin-1-yl)-2-(trifluoromethyl)quinoline |
| OpenEye OEToolkits | 1.7.6 | 6-methyl-4-piperazin-1-yl-2-(trifluoromethyl)quinoline |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | FC(F)(F)c1nc3c(c(c1)N2CCNCC2)cc(cc3)C |
| InChI | InChI | 1.03 | InChI=1S/C15H16F3N3/c1-10-2-3-12-11(8-10)13(21-6-4-19-5-7-21)9-14(20-12)15(16,17)18/h2-3,8-9,19H,4-7H2,1H3 |
| InChIKey | InChI | 1.03 | ZKHOZLXKYFBVMY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc2nc(cc(N3CCNCC3)c2c1)C(F)(F)F |
| SMILES | CACTVS | 3.385 | Cc1ccc2nc(cc(N3CCNCC3)c2c1)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1ccc2c(c1)c(cc(n2)C(F)(F)F)N3CCNCC3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1ccc2c(c1)c(cc(n2)C(F)(F)F)N3CCNCC3 |
