| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(Cc1ccc(C#N)cc1)NCc2ccc3c(c2)nc(N)cc3C |
| InChI | InChI | 1.03 | InChI=1S/C20H20N4/c1-14-10-20(22)24-19-11-17(6-7-18(14)19)13-23-9-8-15-2-4-16(12-21)5-3-15/h2-7,10-11,23H,8-9,13H2,1H3,(H2,22,24) |
| InChIKey | InChI | 1.03 | CNMLPDIDKJDXOA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(N)nc2cc(CNCCc3ccc(cc3)C#N)ccc12 |
| SMILES | CACTVS | 3.385 | Cc1cc(N)nc2cc(CNCCc3ccc(cc3)C#N)ccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc(nc2c1ccc(c2)CNCCc3ccc(cc3)C#N)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc(nc2c1ccc(c2)CNCCc3ccc(cc3)C#N)N |
