Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C25H23N3O3/c1-28-12-11-17-18(8-6-10-20(17)28)25-26-19-9-5-7-16(23(19)27-25)15-13-21(29-2)24(31-4)22(14-15)30-3/h5-14H,1-4H3,(H,26,27) |
InChIKey | InChI | 1.03 | YVHIIGJCOXHSPF-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(cc(OC)c1OC)c2cccc3nc([nH]c23)c4cccc5n(C)ccc45 |
SMILES | CACTVS | 3.385 | COc1cc(cc(OC)c1OC)c2cccc3nc([nH]c23)c4cccc5n(C)ccc45 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1ccc2c1cccc2c3[nH]c4c(cccc4n3)c5cc(c(c(c5)OC)OC)OC |
SMILES | OpenEye OEToolkits | 2.0.7 | Cn1ccc2c1cccc2c3[nH]c4c(cccc4n3)c5cc(c(c(c5)OC)OC)OC |