ZHX
概要
| 表記: | ~{N}-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-methyl-butanamide |
| 組成式: | C16 H21 N3 O2 |
| 電荷: | 0 |
| 化学式量: | 287.357 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 | ~{N}-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-methyl-butanamide |
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 | 1.06 | InChI=1S/C16H21N3O2/c1-11(2)10-14(20)17-15-12(3)18(4)19(16(15)21)13-8-6-5-7-9-13/h5-9,11H,10H2,1-4H3,(H,17,20) |
| InChIKey | InChI | 1.06 | WBRXDBQUBLYLAD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)CC(=O)NC1=C(C)N(C)N(C1=O)c2ccccc2 |
| SMILES | CACTVS | 3.385 | CC(C)CC(=O)NC1=C(C)N(C)N(C1=O)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=C(C(=O)N(N1C)c2ccccc2)NC(=O)CC(C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1=C(C(=O)N(N1C)c2ccccc2)NC(=O)CC(C)C |
