| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | FC(F)CNC(=O)CCOc1ccccc1Oc1cccn2cc(cc12)C#N |
| InChI | InChI | 1.06 | InChI=1S/C20H17F2N3O3/c21-19(22)12-24-20(26)7-9-27-17-4-1-2-5-18(17)28-16-6-3-8-25-13-14(11-23)10-15(16)25/h1-6,8,10,13,19H,7,9,12H2,(H,24,26) |
| InChIKey | InChI | 1.06 | PTNLADVCXMBZFS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)CNC(=O)CCOc1ccccc1Oc2cccn3cc(cc23)C#N |
| SMILES | CACTVS | 3.385 | FC(F)CNC(=O)CCOc1ccccc1Oc2cccn3cc(cc23)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)OCCC(=O)NCC(F)F)Oc2cccn3c2cc(c3)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)OCCC(=O)NCC(F)F)Oc2cccn3c2cc(c3)C#N |
