LFY
概要
| 表記: | 1-ethyl-N-[(4-fluorophenyl)methyl]-1H-imidazole-4-carboxamide |
| 組成式: | C13 H14 F N3 O |
| 電荷: | 0 |
| 化学式量: | 247.268 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-ethyl-N-[(4-fluorophenyl)methyl]-1H-imidazole-4-carboxamide |
| OpenEye OEToolkits | 2.0.6 | 1-ethyl-~{N}-[(4-fluorophenyl)methyl]imidazole-4-carboxamide |
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 | n2(cnc(C(NCc1ccc(F)cc1)=O)c2)CC |
| InChI | InChI | 1.03 | InChI=1S/C13H14FN3O/c1-2-17-8-12(16-9-17)13(18)15-7-10-3-5-11(14)6-4-10/h3-6,8-9H,2,7H2,1H3,(H,15,18) |
| InChIKey | InChI | 1.03 | IQYMOCPZCUBALG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCn1cnc(c1)C(=O)NCc2ccc(F)cc2 |
| SMILES | CACTVS | 3.385 | CCn1cnc(c1)C(=O)NCc2ccc(F)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCn1cc(nc1)C(=O)NCc2ccc(cc2)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCn1cc(nc1)C(=O)NCc2ccc(cc2)F |
