CWG
概要
| 表記: | 3-(4-chlorophenyl)-6-methoxy-4,5-dimethylpyridazine |
| 組成式: | C13 H13 Cl N2 O |
| 電荷: | 0 |
| 化学式量: | 248.708 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 | 3-(4-chlorophenyl)-6-methoxy-4,5-dimethylpyridazine |
| OpenEye OEToolkits | 2.0.6 | 3-(4-chlorophenyl)-6-methoxy-4,5-dimethyl-pyridazine |
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 | c1(c(C)c(c(OC)nn1)C)c2ccc(cc2)Cl |
| InChI | InChI | 1.03 | InChI=1S/C13H13ClN2O/c1-8-9(2)13(17-3)16-15-12(8)10-4-6-11(14)7-5-10/h4-7H,1-3H3 |
| InChIKey | InChI | 1.03 | PROOZMFBOUKEMX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1nnc(c(C)c1C)c2ccc(Cl)cc2 |
| SMILES | CACTVS | 3.385 | COc1nnc(c(C)c1C)c2ccc(Cl)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1c(c(nnc1c2ccc(cc2)Cl)OC)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c(c(nnc1c2ccc(cc2)Cl)OC)C |
