| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | FC(F)(F)c4cccnc4Oc1ccc(cc1)Nc3nc2ccc(C#N)cc2n3 |
| InChI | InChI | 1.03 | InChI=1S/C20H12F3N5O/c21-20(22,23)15-2-1-9-25-18(15)29-14-6-4-13(5-7-14)26-19-27-16-8-3-12(11-24)10-17(16)28-19/h1-10H,(H2,26,27,28) |
| InChIKey | InChI | 1.03 | GAHCTGQCJXQYNK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | FC(F)(F)c1cccnc1Oc2ccc(Nc3[nH]c4cc(ccc4n3)C#N)cc2 |
| SMILES | CACTVS | 3.370 | FC(F)(F)c1cccnc1Oc2ccc(Nc3[nH]c4cc(ccc4n3)C#N)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(c(nc1)Oc2ccc(cc2)Nc3[nH]c4cc(ccc4n3)C#N)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(c(nc1)Oc2ccc(cc2)Nc3[nH]c4cc(ccc4n3)C#N)C(F)(F)F |
