P8Z
概要
| 表記: | 2,4-dimethyl-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]pyridazin-3-one |
| 別名: | dimethyl-methylpiperazinyl-benzyl-aminopyridazinone |
| 組成式: | C18 H25 N5 O |
| 電荷: | 0 |
| 化学式量: | 327.424 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 | 2,4-dimethyl-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]pyridazin-3-one |
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/C18H25N5O/c1-14-16(13-20-22(3)18(14)24)19-12-15-6-4-5-7-17(15)23-10-8-21(2)9-11-23/h4-7,13,19H,8-12H2,1-3H3 |
| InChIKey | InChI | 1.03 | HONYBLSJNSYWKQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCN(CC1)c2ccccc2CNC3=C(C)C(=O)N(C)N=C3 |
| SMILES | CACTVS | 3.385 | CN1CCN(CC1)c2ccccc2CNC3=C(C)C(=O)N(C)N=C3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=C(C=NN(C1=O)C)NCc2ccccc2N3CCN(CC3)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1=C(C=NN(C1=O)C)NCc2ccccc2N3CCN(CC3)C |
