LS0
概要
| 表記: | 2-(6-fluoro-1H-indol-1-yl)-N-(4-methylpyridin-3-yl)acetamide |
| 組成式: | C16 H14 F N3 O |
| 電荷: | 0 |
| 化学式量: | 283.3 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-(6-fluoro-1H-indol-1-yl)-N-(4-methylpyridin-3-yl)acetamide |
| OpenEye OEToolkits | 2.0.7 | 2-(6-fluoranylindol-1-yl)-~{N}-(4-methylpyridin-3-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 | Cc1ccncc1NC(=O)Cn1ccc2ccc(F)cc21 |
| InChI | InChI | 1.06 | InChI=1S/C16H14FN3O/c1-11-4-6-18-9-14(11)19-16(21)10-20-7-5-12-2-3-13(17)8-15(12)20/h2-9H,10H2,1H3,(H,19,21) |
| InChIKey | InChI | 1.06 | FTEMSYPIGWJMTH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccncc1NC(=O)Cn2ccc3ccc(F)cc23 |
| SMILES | CACTVS | 3.385 | Cc1ccncc1NC(=O)Cn2ccc3ccc(F)cc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)Cn2ccc3c2cc(cc3)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)Cn2ccc3c2cc(cc3)F |
