Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | FC(F)(F)c3cc1ncc(nc1c(c2cccc(O)c2)c3)N4CCN(C)CC4 |
SMILES_CANONICAL | CACTVS | 3.341 | CN1CCN(CC1)c2cnc3cc(cc(c4cccc(O)c4)c3n2)C(F)(F)F |
SMILES | CACTVS | 3.341 | CN1CCN(CC1)c2cnc3cc(cc(c4cccc(O)c4)c3n2)C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN1CCN(CC1)c2cnc3cc(cc(c3n2)c4cccc(c4)O)C(F)(F)F |
SMILES | OpenEye OEToolkits | 1.5.0 | CN1CCN(CC1)c2cnc3cc(cc(c3n2)c4cccc(c4)O)C(F)(F)F |
InChI | InChI | 1.03 | InChI=1S/C20H19F3N4O/c1-26-5-7-27(8-6-26)18-12-24-17-11-14(20(21,22)23)10-16(19(17)25-18)13-3-2-4-15(28)9-13/h2-4,9-12,28H,5-8H2,1H3 |
InChIKey | InChI | 1.03 | QNCYYRHIUFGGJX-UHFFFAOYSA-N |