Q8O
概要
表記: | 2-(1H-benzimidazol-6-yl)-N-(4-methylpyridin-3-yl)acetamide |
組成式: | C15 H14 N4 O |
電荷: | 0 |
化学式量: | 266.298 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-(1H-benzimidazol-6-yl)-N-(4-methylpyridin-3-yl)acetamide |
OpenEye OEToolkits | 2.0.7 | 2-(3~{H}-benzimidazol-5-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)Cc1ccc2nc[NH]c2c1 |
InChI | InChI | 1.06 | InChI=1S/C15H14N4O/c1-10-4-5-16-8-14(10)19-15(20)7-11-2-3-12-13(6-11)18-9-17-12/h2-6,8-9H,7H2,1H3,(H,17,18)(H,19,20) |
InChIKey | InChI | 1.06 | NKCRZXILCCSPCY-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccncc1NC(=O)Cc2ccc3nc[nH]c3c2 |
SMILES | CACTVS | 3.385 | Cc1ccncc1NC(=O)Cc2ccc3nc[nH]c3c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)Cc2ccc3c(c2)[nH]cn3 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)Cc2ccc3c(c2)[nH]cn3 |