KVF
概要
| 表記: | (2S)-2-(3-chlorophenyl)-N-(5-methylpyridazin-4-yl)butanamide |
| 組成式: | C15 H16 Cl N3 O |
| 電荷: | 0 |
| 化学式量: | 289.76 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 | (2S)-2-(3-chlorophenyl)-N-(5-methylpyridazin-4-yl)butanamide |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-(3-chlorophenyl)-~{N}-(5-methylpyridazin-4-yl)butanamide |
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)C(CC)c1cccc(Cl)c1 |
| InChI | InChI | 1.06 | InChI=1S/C15H16ClN3O/c1-3-13(11-5-4-6-12(16)7-11)15(20)19-14-9-18-17-8-10(14)2/h4-9,13H,3H2,1-2H3,(H,17,19,20)/t13-/m0/s1 |
| InChIKey | InChI | 1.06 | AATSBPIJUYIMKX-ZDUSSCGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@H](C(=O)Nc1cnncc1C)c2cccc(Cl)c2 |
| SMILES | CACTVS | 3.385 | CC[CH](C(=O)Nc1cnncc1C)c2cccc(Cl)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC[C@@H](c1cccc(c1)Cl)C(=O)Nc2cnncc2C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(c1cccc(c1)Cl)C(=O)Nc2cnncc2C |
