Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1cc(C(F)(F)F)ccc1c2noc(n2)C3CC(O)CN3 |
InChI | InChI | 1.03 | InChI=1S/C13H12F3N3O2/c14-13(15,16)8-3-1-7(2-4-8)11-18-12(21-19-11)10-5-9(20)6-17-10/h1-4,9-10,17,20H,5-6H2/t9-,10-/m1/s1 |
InChIKey | InChI | 1.03 | BFYYUFJLDXZELT-NXEZZACHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1CN[C@H](C1)c2onc(n2)c3ccc(cc3)C(F)(F)F |
SMILES | CACTVS | 3.385 | O[CH]1CN[CH](C1)c2onc(n2)c3ccc(cc3)C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1c2nc(on2)[C@H]3C[C@H](CN3)O)C(F)(F)F |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1c2nc(on2)C3CC(CN3)O)C(F)(F)F |