YXN
概要
| 表記: | 4-(5-ethyl-3-methyl-1H-pyrazol-1-yl)aniline |
| 組成式: | C12 H15 N3 |
| 電荷: | 0 |
| 化学式量: | 201.268 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 | 4-(5-ethyl-3-methyl-1H-pyrazol-1-yl)aniline |
| OpenEye OEToolkits | 2.0.7 | 4-(5-ethyl-3-methyl-pyrazol-1-yl)aniline |
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 | Nc1ccc(cc1)n1nc(C)cc1CC |
| InChI | InChI | 1.06 | InChI=1S/C12H15N3/c1-3-11-8-9(2)14-15(11)12-6-4-10(13)5-7-12/h4-8H,3,13H2,1-2H3 |
| InChIKey | InChI | 1.06 | LAVBGRFHIWCGIQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1cc(C)nn1c2ccc(N)cc2 |
| SMILES | CACTVS | 3.385 | CCc1cc(C)nn1c2ccc(N)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCc1cc(nn1c2ccc(cc2)N)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCc1cc(nn1c2ccc(cc2)N)C |
