| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc4cccc(c2cc3c1c(cnc(C#N)c1)nc3nc2)c4)C |
| InChI | InChI | 1.03 | InChI=1S/C19H13N5O/c1-11(25)23-14-4-2-3-12(5-14)13-6-17-16-7-15(8-20)21-10-18(16)24-19(17)22-9-13/h2-7,9-10H,1H3,(H,22,24)(H,23,25) |
| InChIKey | InChI | 1.03 | QBZYUGXSSSASTB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)Nc1cccc(c1)c2cnc3[nH]c4cnc(cc4c3c2)C#N |
| SMILES | CACTVS | 3.385 | CC(=O)Nc1cccc(c1)c2cnc3[nH]c4cnc(cc4c3c2)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(=O)Nc1cccc(c1)c2cc3c4cc(ncc4[nH]c3nc2)C#N |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(=O)Nc1cccc(c1)c2cc3c4cc(ncc4[nH]c3nc2)C#N |
