5SW
概要
| 表記: | 4-[4-[(dimethylamino)methyl]-3,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one |
| 組成式: | C20 H23 N3 O3 |
| 電荷: | 0 |
| 化学式量: | 353.415 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 | 2.0.4 | 4-[4-[(dimethylamino)methyl]-3,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-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/C20H23N3O3/c1-22(2)11-17-18(25-4)8-13(9-19(17)26-5)16-12-23(3)20(24)15-10-21-7-6-14(15)16/h6-10,12H,11H2,1-5H3 |
| InChIKey | InChI | 1.03 | RBUYFHLQNPJMQM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(cc(OC)c1CN(C)C)C2=CN(C)C(=O)c3cnccc23 |
| SMILES | CACTVS | 3.385 | COc1cc(cc(OC)c1CN(C)C)C2=CN(C)C(=O)c3cnccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CN1C=C(c2ccncc2C1=O)c3cc(c(c(c3)OC)CN(C)C)OC |
| SMILES | OpenEye OEToolkits | 2.0.4 | CN1C=C(c2ccncc2C1=O)c3cc(c(c(c3)OC)CN(C)C)OC |
