| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C29H25ClFN3O3/c30-29-23(4-3-6-26(29)25-5-1-2-7-27(25)31)19-36-24-9-8-22(17-33-10-11-35)28(13-24)37-18-21-12-20(14-32)15-34-16-21/h1-9,12-13,15-16,33,35H,10-11,17-19H2 |
| InChIKey | InChI | 1.06 | DSELNKYPNSPLEU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCCNCc1ccc(OCc2cccc(c2Cl)c3ccccc3F)cc1OCc4cncc(c4)C#N |
| SMILES | CACTVS | 3.385 | OCCNCc1ccc(OCc2cccc(c2Cl)c3ccccc3F)cc1OCc4cncc(c4)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)c2cccc(c2Cl)COc3ccc(c(c3)OCc4cc(cnc4)C#N)CNCCO)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)c2cccc(c2Cl)COc3ccc(c(c3)OCc4cc(cnc4)C#N)CNCCO)F |
