Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | FC(c1c(cnc(c1)N)c2nc(nc(n2)N3CC(C3)(CCl)CO)N4CCOCC4)(F)F |
InChI | InChI | 1.03 | InChI=1S/C18H21ClF3N7O2/c19-7-17(10-30)8-29(9-17)16-26-14(25-15(27-16)28-1-3-31-4-2-28)11-6-24-13(23)5-12(11)18(20,21)22/h5-6,30H,1-4,7-10H2,(H2,23,24) |
InChIKey | InChI | 1.03 | LKZNXFAHMCIKNB-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Nc1cc(c(cn1)c2nc(nc(n2)N3CC(CO)(CCl)C3)N4CCOCC4)C(F)(F)F |
SMILES | CACTVS | 3.385 | Nc1cc(c(cn1)c2nc(nc(n2)N3CC(CO)(CCl)C3)N4CCOCC4)C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1c(c(cnc1N)c2nc(nc(n2)N3CC(C3)(CO)CCl)N4CCOCC4)C(F)(F)F |
SMILES | OpenEye OEToolkits | 2.0.4 | c1c(c(cnc1N)c2nc(nc(n2)N3CC(C3)(CO)CCl)N4CCOCC4)C(F)(F)F |