Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C17H20F3N7O2/c18-17(19,20)12-9-13(21)22-10-11(12)14-23-15(26-1-5-28-6-2-26)25-16(24-14)27-3-7-29-8-4-27/h9-10H,1-8H2,(H2,21,22) |
InChIKey | InChI | 1.03 | ADGGYDAFIHSYFI-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Nc1cc(c(cn1)c2nc(nc(n2)N3CCOCC3)N4CCOCC4)C(F)(F)F |
SMILES | CACTVS | 3.385 | Nc1cc(c(cn1)c2nc(nc(n2)N3CCOCC3)N4CCOCC4)C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1c(c(cnc1N)c2nc(nc(n2)N3CCOCC3)N4CCOCC4)C(F)(F)F |
SMILES | OpenEye OEToolkits | 2.0.6 | c1c(c(cnc1N)c2nc(nc(n2)N3CCOCC3)N4CCOCC4)C(F)(F)F |