QP8
概要
| 表記: | tert-butyl 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylate |
| 別名: | ~{tert}-butyl 4-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylate |
| 組成式: | C19 H25 N5 O3 |
| 電荷: | 0 |
| 化学式量: | 371.434 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 | ~{tert}-butyl 4-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylate |
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/C19H25N5O3/c1-19(2,3)27-18(26)24-10-8-23(9-11-24)15-12-14(21-22-17(15)20)13-6-4-5-7-16(13)25/h4-7,12,25H,8-11H2,1-3H3,(H2,20,22) |
| InChIKey | InChI | 1.03 | AQTNUGRRZDRZIA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)OC(=O)N1CCN(CC1)c2cc(nnc2N)c3ccccc3O |
| SMILES | CACTVS | 3.385 | CC(C)(C)OC(=O)N1CCN(CC1)c2cc(nnc2N)c3ccccc3O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C)OC(=O)N1CCN(CC1)c2cc(nnc2N)c3ccccc3O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C)OC(=O)N1CCN(CC1)c2cc(nnc2N)c3ccccc3O |
