| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(=O)(O)c1ccc(cc1)C(C#N)=[C@H]c4c2ccc(cc2n(Cc3ccc(cc3)F)c4)Cl |
| InChI | InChI | 1.03 | InChI=1S/C25H16ClFN2O2/c26-21-7-10-23-20(11-19(13-28)17-3-5-18(6-4-17)25(30)31)15-29(24(23)12-21)14-16-1-8-22(27)9-2-16/h1-12,15H,14H2,(H,30,31)/b19-11+ |
| InChIKey | InChI | 1.03 | KOJRGZHWAHYXMU-YBFXNURJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc(cc1)C(=C/c2cn(Cc3ccc(F)cc3)c4cc(Cl)ccc24)/C#N |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccc(cc1)C(=Cc2cn(Cc3ccc(F)cc3)c4cc(Cl)ccc24)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1Cn2cc(c3c2cc(cc3)Cl)/C=C(\C#N)/c4ccc(cc4)C(=O)O)F |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1Cn2cc(c3c2cc(cc3)Cl)C=C(C#N)c4ccc(cc4)C(=O)O)F |
