Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | FC(F)(F)C3(C#CC1CC1)OC(=O)Nc2c3cc(Cl)cc2 |
InChI | InChI | 1.03 | InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1 |
InChIKey | InChI | 1.03 | XPOQHMRABVBWPR-ZDUSSCGKSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC3CC3 |
SMILES | CACTVS | 3.370 | FC(F)(F)[C]1(OC(=O)Nc2ccc(Cl)cc12)C#CC3CC3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1Cl)[C@@](OC(=O)N2)(C#CC3CC3)C(F)(F)F |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1Cl)C(OC(=O)N2)(C#CC3CC3)C(F)(F)F |