OBO
概要
| 表記: | 2-(3-chlorophenyl)-N-(1H-imidazo[4,5-c]pyridin-7-yl)acetamide |
| 組成式: | C14 H11 Cl N4 O |
| 電荷: | 0 |
| 化学式量: | 286.716 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-(1H-imidazo[4,5-c]pyridin-7-yl)acetamide |
| OpenEye OEToolkits | 2.0.7 | 2-(3-chlorophenyl)-~{N}-(1~{H}-imidazo[4,5-c]pyridin-7-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 | Clc1cccc(c1)CC(=O)Nc1cncc2nc[NH]c12 |
| InChI | InChI | 1.06 | InChI=1S/C14H11ClN4O/c15-10-3-1-2-9(4-10)5-13(20)19-12-7-16-6-11-14(12)18-8-17-11/h1-4,6-8H,5H2,(H,17,18)(H,19,20) |
| InChIKey | InChI | 1.06 | NXBRVTFHRPPFLN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cccc(CC(=O)Nc2cncc3nc[nH]c23)c1 |
| SMILES | CACTVS | 3.385 | Clc1cccc(CC(=O)Nc2cncc3nc[nH]c23)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2[nH]cn3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2[nH]cn3 |
