XJR
概要
表記: | N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-methoxyphenoxy)acetamide |
別名: | N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-(4-methoxyphenoxy)ethanamide |
組成式: | C20 H21 N3 O4 |
電荷: | 0 |
化学式量: | 367.398 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 | ~{N}-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-(4-methoxyphenoxy)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 | 1.06 | InChI=1S/C20H21N3O4/c1-14-19(20(25)23(22(14)2)15-7-5-4-6-8-15)21-18(24)13-27-17-11-9-16(26-3)10-12-17/h4-12H,13H2,1-3H3,(H,21,24) |
InChIKey | InChI | 1.06 | KFGTZDFVOVOTTI-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(OCC(=O)NC2=C(C)N(C)N(C2=O)c3ccccc3)cc1 |
SMILES | CACTVS | 3.385 | COc1ccc(OCC(=O)NC2=C(C)N(C)N(C2=O)c3ccccc3)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=C(C(=O)N(N1C)c2ccccc2)NC(=O)COc3ccc(cc3)OC |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1=C(C(=O)N(N1C)c2ccccc2)NC(=O)COc3ccc(cc3)OC |