A1L1O
概要
| 表記: | 1-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1~{H}-isoquinolin-2-yl]propan-1-one |
| 組成式: | C19 H18 F3 N O |
| 電荷: | 0 |
| 化学式量: | 333.348 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-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1~{H}-isoquinolin-2-yl]propan-1-one |
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/C19H18F3NO/c1-2-18(24)23-10-9-14-3-4-15(11-16(14)12-23)13-5-7-17(8-6-13)19(20,21)22/h3-8,11H,2,9-10,12H2,1H3 |
| InChIKey | InChI | 1.06 | ZYQGABWQIVIATN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)N1CCc2ccc(cc2C1)c3ccc(cc3)C(F)(F)F |
| SMILES | CACTVS | 3.385 | CCC(=O)N1CCc2ccc(cc2C1)c3ccc(cc3)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC(=O)N1CCc2ccc(cc2C1)c3ccc(cc3)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(=O)N1CCc2ccc(cc2C1)c3ccc(cc3)C(F)(F)F |
