U0H
概要
表記: | ~{N}-~{tert}-butyl-2-methoxy-~{N}'-(3-methoxy-2-methyl-phenyl)carbonyl-pyridine-3-carbohydrazide |
組成式: | C20 H25 N3 O4 |
電荷: | 0 |
化学式量: | 371.43 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}-~{tert}-butyl-2-methoxy-~{N}'-(3-methoxy-2-methyl-phenyl)carbonyl-pyridine-3-carbohydrazide |
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/C20H25N3O4/c1-13-14(9-7-11-16(13)26-5)17(24)22-23(20(2,3)4)19(25)15-10-8-12-21-18(15)27-6/h7-12H,1-6H3,(H,22,24) |
InChIKey | InChI | 1.03 | IQDJDSKRJNIDTA-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc(C(=O)NN(C(=O)c2cccnc2OC)C(C)(C)C)c1C |
SMILES | CACTVS | 3.385 | COc1cccc(C(=O)NN(C(=O)c2cccnc2OC)C(C)(C)C)c1C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(cccc1OC)C(=O)NN(C(=O)c2cccnc2OC)C(C)(C)C |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(cccc1OC)C(=O)NN(C(=O)c2cccnc2OC)C(C)(C)C |