| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c31nc(ccc1ccc(COc2cc(cc(CNC)c2)C#N)c3)N |
| InChI | InChI | 1.03 | InChI=1S/C19H18N4O/c1-22-11-15-6-14(10-20)7-17(8-15)24-12-13-2-3-16-4-5-19(21)23-18(16)9-13/h2-9,22H,11-12H2,1H3,(H2,21,23) |
| InChIKey | InChI | 1.03 | QYHMAWINXHLCMX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNCc1cc(OCc2ccc3ccc(N)nc3c2)cc(c1)C#N |
| SMILES | CACTVS | 3.385 | CNCc1cc(OCc2ccc3ccc(N)nc3c2)cc(c1)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CNCc1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)C#N |
| SMILES | OpenEye OEToolkits | 2.0.6 | CNCc1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)C#N |
