YCG
概要
| 表記: | [5,5-dimethyl-3-(2-methylphenyl)-4~{H}-pyrazol-1-yl]-pyridin-4-yl-methanone |
| 組成式: | C18 H19 N3 O |
| 電荷: | 0 |
| 化学式量: | 293.363 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| OpenEye OEToolkits | 2.0.7 | [5,5-dimethyl-3-(2-methylphenyl)-4~{H}-pyrazol-1-yl]-pyridin-4-yl-methanone |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C18H19N3O/c1-13-6-4-5-7-15(13)16-12-18(2,3)21(20-16)17(22)14-8-10-19-11-9-14/h4-11H,12H2,1-3H3 |
| InChIKey | InChI | 1.03 | YQBXKJJOBGJGKY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccccc1C2=NN(C(=O)c3ccncc3)C(C)(C)C2 |
| SMILES | CACTVS | 3.385 | Cc1ccccc1C2=NN(C(=O)c3ccncc3)C(C)(C)C2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccccc1C2=NN(C(C2)(C)C)C(=O)c3ccncc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccccc1C2=NN(C(C2)(C)C)C(=O)c3ccncc3 |
