種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.03 | InChI=1S/C26H30N2O3/c1-18-22(20-9-7-19(8-10-20)17-28-11-5-6-12-28)15-27-16-23(18)21-13-24(29-2)26(31-4)25(14-21)30-3/h7-10,13-16H,5-6,11-12,17H2,1-4H3 |
InChIKey | InChI | 1.03 | LRZCFVDFECJERV-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(cc(OC)c1OC)c2cncc(c2C)c3ccc(CN4CCCC4)cc3 |
SMILES | CACTVS | 3.385 | COc1cc(cc(OC)c1OC)c2cncc(c2C)c3ccc(CN4CCCC4)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(cncc1c2cc(c(c(c2)OC)OC)OC)c3ccc(cc3)CN4CCCC4 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(cncc1c2cc(c(c(c2)OC)OC)OC)c3ccc(cc3)CN4CCCC4 |