| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | N#Cc4cc(Oc1ccc(cc1Br)Cc3nnc2nnccc23)cc(c4)C |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1cc(Oc2ccc(Cc3n[nH]c4nnccc34)cc2Br)cc(c1)C#N |
| SMILES | CACTVS | 3.341 | Cc1cc(Oc2ccc(Cc3n[nH]c4nnccc34)cc2Br)cc(c1)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1cc(cc(c1)Oc2ccc(cc2Br)Cc3c4ccnnc4[nH]n3)C#N |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cc(cc(c1)Oc2ccc(cc2Br)Cc3c4ccnnc4[nH]n3)C#N |
| InChI | InChI | 1.03 | InChI=1S/C20H14BrN5O/c1-12-6-14(11-22)8-15(7-12)27-19-3-2-13(9-17(19)21)10-18-16-4-5-23-25-20(16)26-24-18/h2-9H,10H2,1H3,(H,24,25,26) |
| InChIKey | InChI | 1.03 | YYGZQXRLQMFHDH-UHFFFAOYSA-N |
