種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | N(c3nc2cc(c1cc(c(OC)cc1)OC)ccc2nc3)CC(=O)NC |
InChI | InChI | 1.03 | InChI=1S/C19H20N4O3/c1-20-19(24)11-22-18-10-21-14-6-4-12(8-15(14)23-18)13-5-7-16(25-2)17(9-13)26-3/h4-10H,11H2,1-3H3,(H,20,24)(H,22,23) |
InChIKey | InChI | 1.03 | LYPCULYCGFOIDA-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)CNc1cnc2ccc(cc2n1)c3ccc(OC)c(OC)c3 |
SMILES | CACTVS | 3.385 | CNC(=O)CNc1cnc2ccc(cc2n1)c3ccc(OC)c(OC)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CNC(=O)CNc1cnc2ccc(cc2n1)c3ccc(c(c3)OC)OC |
SMILES | OpenEye OEToolkits | 1.9.2 | CNC(=O)CNc1cnc2ccc(cc2n1)c3ccc(c(c3)OC)OC |