YCV
概要
| 表記: | 2-[4-(1~{H}-indazol-4-yl)-2-methanoyl-6-methoxy-phenoxy]-~{N},~{N}-dimethyl-ethanamide |
| 組成式: | C19 H19 N3 O4 |
| 電荷: | 0 |
| 化学式量: | 353.372 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 | 2.0.7 | 2-[4-(1~{H}-indazol-4-yl)-2-methanoyl-6-methoxy-phenoxy]-~{N},~{N}-dimethyl-ethanamide |
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/C19H19N3O4/c1-22(2)18(24)11-26-19-13(10-23)7-12(8-17(19)25-3)14-5-4-6-16-15(14)9-20-21-16/h4-10H,11H2,1-3H3,(H,20,21) |
| InChIKey | InChI | 1.03 | LDHIKLLVVUEYPE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(cc(C=O)c1OCC(=O)N(C)C)c2cccc3[nH]ncc23 |
| SMILES | CACTVS | 3.385 | COc1cc(cc(C=O)c1OCC(=O)N(C)C)c2cccc3[nH]ncc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)C(=O)COc1c(cc(cc1OC)c2cccc3c2cn[nH]3)C=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)C(=O)COc1c(cc(cc1OC)c2cccc3c2cn[nH]3)C=O |
