Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Oc1nc(CCc2ccc(Cl)cc2Cl)cc(n1)C(F)(F)F |
InChI | InChI | 1.06 | InChI=1S/C13H9Cl2F3N2O/c14-8-3-1-7(10(15)5-8)2-4-9-6-11(13(16,17)18)20-12(21)19-9/h1,3,5-6H,2,4H2,(H,19,20,21) |
InChIKey | InChI | 1.06 | IBPXEUWFSZDIPG-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Oc1nc(CCc2ccc(Cl)cc2Cl)cc(n1)C(F)(F)F |
SMILES | CACTVS | 3.385 | Oc1nc(CCc2ccc(Cl)cc2Cl)cc(n1)C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1Cl)Cl)CCc2cc(nc(n2)O)C(F)(F)F |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1Cl)Cl)CCc2cc(nc(n2)O)C(F)(F)F |