| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C21H20N4O2/c22-12-17-7-3-4-8-20(17)27-21-10-9-15(11-19(21)26)13-25-14-18(23-24-25)16-5-1-2-6-16/h3-4,7-11,14,16,26H,1-2,5-6,13H2 |
| InChIKey | InChI | 1.03 | JZCMMIRMZDKLJY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cc(Cn2cc(nn2)C3CCCC3)ccc1Oc4ccccc4C#N |
| SMILES | CACTVS | 3.385 | Oc1cc(Cn2cc(nn2)C3CCCC3)ccc1Oc4ccccc4C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)C#N)Oc2ccc(cc2O)Cn3cc(nn3)C4CCCC4 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)C#N)Oc2ccc(cc2O)Cn3cc(nn3)C4CCCC4 |
