LJ7
概要
| 表記: | N-[(4-fluorophenyl)methyl]-1-(propan-2-yl)-1H-pyrazole-3-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]-1-(propan-2-yl)-1H-pyrazole-3-carboxamide |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[(4-fluorophenyl)methyl]-1-propan-2-yl-pyrazole-3-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 | n1(nc(cc1)C(NCc2ccc(cc2)F)=O)C(C)C |
| InChI | InChI | 1.03 | InChI=1S/C14H16FN3O/c1-10(2)18-8-7-13(17-18)14(19)16-9-11-3-5-12(15)6-4-11/h3-8,10H,9H2,1-2H3,(H,16,19) |
| InChIKey | InChI | 1.03 | LNEKDDDRHINJQA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)n1ccc(n1)C(=O)NCc2ccc(F)cc2 |
| SMILES | CACTVS | 3.385 | CC(C)n1ccc(n1)C(=O)NCc2ccc(F)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)n1ccc(n1)C(=O)NCc2ccc(cc2)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)n1ccc(n1)C(=O)NCc2ccc(cc2)F |
