種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.03 | InChI=1S/C20H22N4O2/c1-4-21-20(25)16-10-11-19(17(12-16)18-13-24(3)23-22-18)26-14(2)15-8-6-5-7-9-15/h5-14H,4H2,1-3H3,(H,21,25)/t14-/m0/s1 |
InChIKey | InChI | 1.03 | VZVLEUYPQRNNJB-AWEZNQCLSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCNC(=O)c1ccc(O[C@@H](C)c2ccccc2)c(c1)c3cn(C)nn3 |
SMILES | CACTVS | 3.385 | CCNC(=O)c1ccc(O[CH](C)c2ccccc2)c(c1)c3cn(C)nn3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCNC(=O)c1ccc(c(c1)c2cn(nn2)C)O[C@@H](C)c3ccccc3 |
SMILES | OpenEye OEToolkits | 2.0.7 | CCNC(=O)c1ccc(c(c1)c2cn(nn2)C)OC(C)c3ccccc3 |