M50
概要
| 表記: | 2-(3-chlorophenyl)-N-(5-methylpyridazin-4-yl)acetamide |
| 組成式: | C13 H12 Cl N3 O |
| 電荷: | 0 |
| 化学式量: | 261.707 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-chlorophenyl)-N-(5-methylpyridazin-4-yl)acetamide |
| OpenEye OEToolkits | 2.0.7 | 2-(3-chlorophenyl)-~{N}-(5-methylpyridazin-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 | Cc1cnncc1NC(=O)Cc1cccc(Cl)c1 |
| InChI | InChI | 1.06 | InChI=1S/C13H12ClN3O/c1-9-7-15-16-8-12(9)17-13(18)6-10-3-2-4-11(14)5-10/h2-5,7-8H,6H2,1H3,(H,15,17,18) |
| InChIKey | InChI | 1.06 | VUGOQWLHGHMVIW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cnncc1NC(=O)Cc2cccc(Cl)c2 |
| SMILES | CACTVS | 3.385 | Cc1cnncc1NC(=O)Cc2cccc(Cl)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cnncc1NC(=O)Cc2cccc(c2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cnncc1NC(=O)Cc2cccc(c2)Cl |
