| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N#Cc3ccc(CCNCc1cc2c(cc1)ccc(N)n2)cc3 |
| InChI | InChI | 1.03 | InChI=1S/C19H18N4/c20-12-15-3-1-14(2-4-15)9-10-22-13-16-5-6-17-7-8-19(21)23-18(17)11-16/h1-8,11,22H,9-10,13H2,(H2,21,23) |
| InChIKey | InChI | 1.03 | CDHZAJGZCBJOTB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc2ccc(CNCCc3ccc(cc3)C#N)cc2n1 |
| SMILES | CACTVS | 3.385 | Nc1ccc2ccc(CNCCc3ccc(cc3)C#N)cc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1CCNCc2ccc3ccc(nc3c2)N)C#N |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1CCNCc2ccc3ccc(nc3c2)N)C#N |
