NQ3
概要
| 表記: | (1M,3P)-1-(3-chlorophenyl)-3-(4-methylpyridin-3-yl)-1,3-dihydro-2H-imidazol-2-one |
| 組成式: | C15 H12 Cl N3 O |
| 電荷: | 0 |
| 化学式量: | 285.728 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 | (1M,3P)-1-(3-chlorophenyl)-3-(4-methylpyridin-3-yl)-1,3-dihydro-2H-imidazol-2-one |
| OpenEye OEToolkits | 2.0.7 | 1-(3-chlorophenyl)-3-(4-methylpyridin-3-yl)imidazol-2-one |
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)N1C=CN(c2cnccc2C)C1=O |
| InChI | InChI | 1.06 | InChI=1S/C15H12ClN3O/c1-11-5-6-17-10-14(11)19-8-7-18(15(19)20)13-4-2-3-12(16)9-13/h2-10H,1H3 |
| InChIKey | InChI | 1.06 | NCRWUWJGTHEGCI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccncc1N2C=CN(c3cccc(Cl)c3)C2=O |
| SMILES | CACTVS | 3.385 | Cc1ccncc1N2C=CN(c3cccc(Cl)c3)C2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1N2C=CN(C2=O)c3cccc(c3)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1N2C=CN(C2=O)c3cccc(c3)Cl |
