| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(cc(CNC)cc(c1)OCc2cc3nc(cc(C)c3cc2)N)C#N |
| InChI | InChI | 1.03 | InChI=1S/C20H20N4O/c1-13-5-20(22)24-19-9-14(3-4-18(13)19)12-25-17-7-15(10-21)6-16(8-17)11-23-2/h3-9,23H,11-12H2,1-2H3,(H2,22,24) |
| InChIKey | InChI | 1.03 | NLOWGCVMDAJXMN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNCc1cc(OCc2ccc3c(C)cc(N)nc3c2)cc(c1)C#N |
| SMILES | CACTVS | 3.385 | CNCc1cc(OCc2ccc3c(C)cc(N)nc3c2)cc(c1)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)CNC)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)CNC)N |
