| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C30H17ClF3N3O4/c31-23-8-4-7-22(30(32,33)34)26(23)28(38)37-24-13-18(15-35)9-11-20(24)27(36-37)21-12-10-19(29(39)40)14-25(21)41-16-17-5-2-1-3-6-17/h1-14H,16H2,(H,39,40) |
| InChIKey | InChI | 1.06 | IOFNLZUNRRUVMC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc(c(OCc2ccccc2)c1)c3nn(C(=O)c4c(Cl)cccc4C(F)(F)F)c5cc(ccc35)C#N |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccc(c(OCc2ccccc2)c1)c3nn(C(=O)c4c(Cl)cccc4C(F)(F)F)c5cc(ccc35)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)COc2cc(ccc2c3c4ccc(cc4n(n3)C(=O)c5c(cccc5Cl)C(F)(F)F)C#N)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)COc2cc(ccc2c3c4ccc(cc4n(n3)C(=O)c5c(cccc5Cl)C(F)(F)F)C#N)C(=O)O |
