EZS
概要
| 表記: | 1-{1-[(4-fluorophenyl)methyl]-2-methyl-1H-imidazol-4-yl}ethan-1-one |
| 組成式: | C13 H13 F N2 O |
| 電荷: | 0 |
| 化学式量: | 232.254 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 | 1-{1-[(4-fluorophenyl)methyl]-2-methyl-1H-imidazol-4-yl}ethan-1-one |
| OpenEye OEToolkits | 2.0.6 | 1-[1-[(4-fluorophenyl)methyl]-2-methyl-imidazol-4-yl]ethanone |
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 | C(c1cn(c(n1)C)Cc2ccc(cc2)F)(C)=O |
| InChI | InChI | 1.03 | InChI=1S/C13H13FN2O/c1-9(17)13-8-16(10(2)15-13)7-11-3-5-12(14)6-4-11/h3-6,8H,7H2,1-2H3 |
| InChIKey | InChI | 1.03 | DFAWHFIZXSIPFQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)c1cn(Cc2ccc(F)cc2)c(C)n1 |
| SMILES | CACTVS | 3.385 | CC(=O)c1cn(Cc2ccc(F)cc2)c(C)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1nc(cn1Cc2ccc(cc2)F)C(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1nc(cn1Cc2ccc(cc2)F)C(=O)C |
