Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C22H29F2N3O4/c23-22(24)31-20-6-5-16(13-21(20)30-18-3-1-2-4-18)19-7-8-27(25-19)15-17(28)14-26-9-11-29-12-10-26/h5-8,13,17-18,22,28H,1-4,9-12,14-15H2/t17-/m1/s1 |
InChIKey | InChI | 1.03 | FRVKKFLTBQINJK-QGZVFWFLSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O[C@H](CN1CCOCC1)Cn2ccc(n2)c3ccc(OC(F)F)c(OC4CCCC4)c3 |
SMILES | CACTVS | 3.385 | O[CH](CN1CCOCC1)Cn2ccc(n2)c3ccc(OC(F)F)c(OC4CCCC4)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(c(cc1c2ccn(n2)C[C@@H](CN3CCOCC3)O)OC4CCCC4)OC(F)F |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(c(cc1c2ccn(n2)CC(CN3CCOCC3)O)OC4CCCC4)OC(F)F |