Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C20H18BrF3N2O/c21-13-6-4-12(5-7-13)11-25-17-3-1-2-16-15-9-8-14(27-20(22,23)24)10-18(15)26-19(16)17/h4-10,17,25-26H,1-3,11H2/t17-/m0/s1 |
InChIKey | InChI | 1.03 | YDUCOWUNUQZJIA-KRWDZBQOSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)Oc1ccc2c([nH]c3[C@H](CCCc23)NCc4ccc(Br)cc4)c1 |
SMILES | CACTVS | 3.385 | FC(F)(F)Oc1ccc2c([nH]c3[CH](CCCc23)NCc4ccc(Br)cc4)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1CN[C@H]2CCCc3c2[nH]c4c3ccc(c4)OC(F)(F)F)Br |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1CNC2CCCc3c2[nH]c4c3ccc(c4)OC(F)(F)F)Br |