D1W
概要
表記: | 6-(2,3-dihydro-1,4-benzodioxin-5-yl)-~{N}-[4-[(dimethylamino)methyl]phenyl]-2-methoxy-pyridin-3-amine |
組成式: | C23 H25 N3 O3 |
電荷: | 0 |
化学式量: | 391.463 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 | 2.0.6 | 6-(2,3-dihydro-1,4-benzodioxin-5-yl)-~{N}-[4-[(dimethylamino)methyl]phenyl]-2-methoxy-pyridin-3-amine |
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/C23H25N3O3/c1-26(2)15-16-7-9-17(10-8-16)24-20-12-11-19(25-23(20)27-3)18-5-4-6-21-22(18)29-14-13-28-21/h4-12,24H,13-15H2,1-3H3 |
InChIKey | InChI | 1.03 | MJHHFDJNRRCUOB-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1nc(ccc1Nc2ccc(CN(C)C)cc2)c3cccc4OCCOc34 |
SMILES | CACTVS | 3.385 | COc1nc(ccc1Nc2ccc(CN(C)C)cc2)c3cccc4OCCOc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN(C)Cc1ccc(cc1)Nc2ccc(nc2OC)c3cccc4c3OCCO4 |
SMILES | OpenEye OEToolkits | 2.0.6 | CN(C)Cc1ccc(cc1)Nc2ccc(nc2OC)c3cccc4c3OCCO4 |