WRY
概要
| 表記: | 7-fluoro-N,2-dimethylquinoline-3-carboxamide |
| 組成式: | C12 H11 F N2 O |
| 電荷: | 0 |
| 化学式量: | 218.227 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 | 7-fluoro-N,2-dimethylquinoline-3-carboxamide |
| OpenEye OEToolkits | 2.0.7 | 7-fluoranyl-~{N},2-dimethyl-quinoline-3-carboxamide |
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 | N(C)C(=O)c2cc1ccc(F)cc1nc2C |
| InChI | InChI | 1.03 | InChI=1S/C12H11FN2O/c1-7-10(12(16)14-2)5-8-3-4-9(13)6-11(8)15-7/h3-6H,1-2H3,(H,14,16) |
| InChIKey | InChI | 1.03 | XTBYDIXZNAOPDG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)c1cc2ccc(F)cc2nc1C |
| SMILES | CACTVS | 3.385 | CNC(=O)c1cc2ccc(F)cc2nc1C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(cc2ccc(cc2n1)F)C(=O)NC |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(cc2ccc(cc2n1)F)C(=O)NC |
