| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C22H22N4O2/c23-13-18-8-4-5-9-21(18)28-22-11-10-16(12-20(22)27)14-26-15-19(24-25-26)17-6-2-1-3-7-17/h4-5,8-12,15,17,27H,1-3,6-7,14H2 |
| InChIKey | InChI | 1.03 | IXUICFFBXXUCFL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cc(Cn2cc(nn2)C3CCCCC3)ccc1Oc4ccccc4C#N |
| SMILES | CACTVS | 3.385 | Oc1cc(Cn2cc(nn2)C3CCCCC3)ccc1Oc4ccccc4C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)C#N)Oc2ccc(cc2O)Cn3cc(nn3)C4CCCCC4 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)C#N)Oc2ccc(cc2O)Cn3cc(nn3)C4CCCCC4 |
