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概要
| 表記: | N-[(4-fluorophenyl)methyl]-2-(propan-2-yl)-1H-imidazole-5-carboxamide |
| 組成式: | C14 H16 F N3 O |
| 電荷: | 0 |
| 化学式量: | 261.295 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 | N-[(4-fluorophenyl)methyl]-2-(propan-2-yl)-1H-imidazole-5-carboxamide |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[(4-fluorophenyl)methyl]-2-propan-2-yl-1~{H}-imidazole-5-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 | n2c(C(NCc1ccc(cc1)F)=O)cnc2C(C)C |
| InChI | InChI | 1.03 | InChI=1S/C14H16FN3O/c1-9(2)13-16-8-12(18-13)14(19)17-7-10-3-5-11(15)6-4-10/h3-6,8-9H,7H2,1-2H3,(H,16,18)(H,17,19) |
| InChIKey | InChI | 1.03 | TURNDZZBBPNUCW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)c1[nH]c(cn1)C(=O)NCc2ccc(F)cc2 |
| SMILES | CACTVS | 3.385 | CC(C)c1[nH]c(cn1)C(=O)NCc2ccc(F)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)c1[nH]c(cn1)C(=O)NCc2ccc(cc2)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)c1[nH]c(cn1)C(=O)NCc2ccc(cc2)F |
