Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C23H32F3N3O2/c1-2-5-19-18-8-7-17(31-23(24,25)26)16-20(18)27-22(19)21-6-3-4-9-29(21)11-10-28-12-14-30-15-13-28/h7-8,16,21,27H,2-6,9-15H2,1H3/t21-/m1/s1 |
InChIKey | InChI | 1.03 | UNPIVXUWRQMOQC-OAQYLSRUSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCc1c([nH]c2cc(OC(F)(F)F)ccc12)[C@H]3CCCCN3CCN4CCOCC4 |
SMILES | CACTVS | 3.385 | CCCc1c([nH]c2cc(OC(F)(F)F)ccc12)[CH]3CCCCN3CCN4CCOCC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCc1c2ccc(cc2[nH]c1[C@H]3CCCCN3CCN4CCOCC4)OC(F)(F)F |
SMILES | OpenEye OEToolkits | 2.0.7 | CCCc1c2ccc(cc2[nH]c1C3CCCCN3CCN4CCOCC4)OC(F)(F)F |