7XE
概要
| 表記: | 4-chloro-2-methyl-5-[(1,2,3,4-tetrahydroisoquinolin-6-yl)amino]pyridazin-3(2H)-one |
| 組成式: | C14 H15 Cl N4 O |
| 電荷: | 0 |
| 化学式量: | 290.748 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-2-methyl-5-[(1,2,3,4-tetrahydroisoquinolin-6-yl)amino]pyridazin-3(2H)-one |
| OpenEye OEToolkits | 2.0.7 | 4-chloranyl-2-methyl-5-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)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(Nc2cc3CCNCc3cc2)=C(Cl)C1=O |
| InChI | InChI | 1.03 | InChI=1S/C14H15ClN4O/c1-19-14(20)13(15)12(8-17-19)18-11-3-2-10-7-16-5-4-9(10)6-11/h2-3,6,8,16,18H,4-5,7H2,1H3 |
| InChIKey | InChI | 1.03 | QFMNJCUEVHZUMC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1N=CC(=C(Cl)C1=O)Nc2ccc3CNCCc3c2 |
| SMILES | CACTVS | 3.385 | CN1N=CC(=C(Cl)C1=O)Nc2ccc3CNCCc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1C(=O)C(=C(C=N1)Nc2ccc3c(c2)CCNC3)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1C(=O)C(=C(C=N1)Nc2ccc3c(c2)CCNC3)Cl |
