| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H13N5O/c21-9-13-3-5-14(6-4-13)16-8-17-18(12-24-19(17)23-11-16)25-20(26)15-2-1-7-22-10-15/h1-8,10-12H,(H,23,24)(H,25,26) |
| InChIKey | InChI | 1.03 | JTSLALYXYSRPGW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(Nc1c[nH]c2ncc(cc12)c3ccc(cc3)C#N)c4cccnc4 |
| SMILES | CACTVS | 3.385 | O=C(Nc1c[nH]c2ncc(cc12)c3ccc(cc3)C#N)c4cccnc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | c1cc(cnc1)C(=O)Nc2c[nH]c3c2cc(cn3)c4ccc(cc4)C#N |
| SMILES | OpenEye OEToolkits | 2.0.5 | c1cc(cnc1)C(=O)Nc2c[nH]c3c2cc(cn3)c4ccc(cc4)C#N |
