Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C24H22N4O3/c1-27-10-8-16-11-15(5-6-19(16)27)18-14-23-25-9-7-20(28(23)26-18)17-12-21(29-2)24(31-4)22(13-17)30-3/h5-14H,1-4H3 |
InChIKey | InChI | 1.03 | GASKYSVUBZWPCV-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(cc(OC)c1OC)c2ccnc3cc(nn23)c4ccc5n(C)ccc5c4 |
SMILES | CACTVS | 3.385 | COc1cc(cc(OC)c1OC)c2ccnc3cc(nn23)c4ccc5n(C)ccc5c4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1ccc2c1ccc(c2)c3cc4nccc(n4n3)c5cc(c(c(c5)OC)OC)OC |
SMILES | OpenEye OEToolkits | 2.0.7 | Cn1ccc2c1ccc(c2)c3cc4nccc(n4n3)c5cc(c(c(c5)OC)OC)OC |