Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C19H13Cl3F3N3O3/c1-8-16(19(23,24)25)26-17(12-4-5-13(21)31-12)28(8)15-10(20)2-3-11(14(15)22)27-6-9(7-27)18(29)30/h2-5,9H,6-7H2,1H3,(H,29,30) |
InChIKey | InChI | 1.03 | XHCGKVYORHHKEM-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1n(c(nc1C(F)(F)F)c2oc(Cl)cc2)c3c(Cl)ccc(N4CC(C4)C(O)=O)c3Cl |
SMILES | CACTVS | 3.385 | Cc1n(c(nc1C(F)(F)F)c2oc(Cl)cc2)c3c(Cl)ccc(N4CC(C4)C(O)=O)c3Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1c(nc(n1c2c(ccc(c2Cl)N3CC(C3)C(=O)O)Cl)c4ccc(o4)Cl)C(F)(F)F |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c(nc(n1c2c(ccc(c2Cl)N3CC(C3)C(=O)O)Cl)c4ccc(o4)Cl)C(F)(F)F |