| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(Nc1ncccc1OCc1ccccc1)Nc1ccc(C#N)cc1O |
| InChI | InChI | 1.06 | InChI=1S/C20H16N4O3/c21-12-15-8-9-16(17(25)11-15)23-20(26)24-19-18(7-4-10-22-19)27-13-14-5-2-1-3-6-14/h1-11,25H,13H2,(H2,22,23,24,26) |
| InChIKey | InChI | 1.06 | NFPDKHFRABMOJP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cc(ccc1NC(=O)Nc2ncccc2OCc3ccccc3)C#N |
| SMILES | CACTVS | 3.385 | Oc1cc(ccc1NC(=O)Nc2ncccc2OCc3ccccc3)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)COc2cccnc2NC(=O)Nc3ccc(cc3O)C#N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)COc2cccnc2NC(=O)Nc3ccc(cc3O)C#N |
