QER
概要
| 表記: | 2-(3-fluorophenyl)-N-(isoquinolin-4-yl)acetamide |
| 組成式: | C17 H13 F N2 O |
| 電荷: | 0 |
| 化学式量: | 280.296 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 | 2-(3-fluorophenyl)-N-(isoquinolin-4-yl)acetamide |
| OpenEye OEToolkits | 2.0.7 | 2-(3-fluorophenyl)-~{N}-isoquinolin-4-yl-ethanamide |
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 | Fc1cccc(c1)CC(=O)Nc1cncc2ccccc21 |
| InChI | InChI | 1.06 | InChI=1S/C17H13FN2O/c18-14-6-3-4-12(8-14)9-17(21)20-16-11-19-10-13-5-1-2-7-15(13)16/h1-8,10-11H,9H2,(H,20,21) |
| InChIKey | InChI | 1.06 | IMZAGSRTOVZPED-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1cccc(CC(=O)Nc2cncc3ccccc23)c1 |
| SMILES | CACTVS | 3.385 | Fc1cccc(CC(=O)Nc2cncc3ccccc23)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cncc2NC(=O)Cc3cccc(c3)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cncc2NC(=O)Cc3cccc(c3)F |
