Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C23H21N3O3/c1-15-11-17(29-16-7-5-4-6-8-16)9-10-19(15)26-23-18-12-21(27-2)22(28-3)13-20(18)24-14-25-23/h4-14H,1-3H3,(H,24,25,26) |
InChIKey | InChI | 1.03 | PEKZLFZZBGBOPJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc2ncnc(Nc3ccc(Oc4ccccc4)cc3C)c2cc1OC |
SMILES | CACTVS | 3.385 | COc1cc2ncnc(Nc3ccc(Oc4ccccc4)cc3C)c2cc1OC |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | Cc1cc(ccc1Nc2c3cc(c(cc3ncn2)OC)OC)Oc4ccccc4 |
SMILES | OpenEye OEToolkits | 2.0.5 | Cc1cc(ccc1Nc2c3cc(c(cc3ncn2)OC)OC)Oc4ccccc4 |