YOV
概要
| 表記: | 4-chloro-5-{4-[2-(dimethylamino)ethyl]anilino}-2-methylpyridazin-3(2H)-one |
| 組成式: | C15 H19 Cl N4 O |
| 電荷: | 0 |
| 化学式量: | 306.791 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-chloro-5-{4-[2-(dimethylamino)ethyl]anilino}-2-methylpyridazin-3(2H)-one |
| OpenEye OEToolkits | 2.0.7 | 4-chloranyl-5-[[4-[2-(dimethylamino)ethyl]phenyl]amino]-2-methyl-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 |
| SMILES | ACDLabs | 12.01 | CN1N=CC(Nc2ccc(CCN(C)C)cc2)=C(Cl)C1=O |
| InChI | InChI | 1.03 | InChI=1S/C15H19ClN4O/c1-19(2)9-8-11-4-6-12(7-5-11)18-13-10-17-20(3)15(21)14(13)16/h4-7,10,18H,8-9H2,1-3H3 |
| InChIKey | InChI | 1.03 | GMOXVZIZCRBKJB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)CCc1ccc(NC2=C(Cl)C(=O)N(C)N=C2)cc1 |
| SMILES | CACTVS | 3.385 | CN(C)CCc1ccc(NC2=C(Cl)C(=O)N(C)N=C2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1C(=O)C(=C(C=N1)Nc2ccc(cc2)CCN(C)C)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1C(=O)C(=C(C=N1)Nc2ccc(cc2)CCN(C)C)Cl |
