Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | FC(F)(F)c1cc(ccc1)c2ccc3c(n2)N(C4CN3CC4)C(=O)Nc5cc(ccc5)c6ocnc6 |
InChI | InChI | 1.03 | InChI=1S/C26H20F3N5O2/c27-26(28,29)18-5-1-3-16(11-18)21-7-8-22-24(32-21)34(20-9-10-33(22)14-20)25(35)31-19-6-2-4-17(12-19)23-13-30-15-36-23/h1-8,11-13,15,20H,9-10,14H2,(H,31,35)/t20-/m0/s1 |
InChIKey | InChI | 1.03 | DNDUUAHYXRIMOM-FQEVSTJZSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)c1cccc(c1)c2ccc3[N@@]4CC[C@@H](C4)N(C(=O)Nc5cccc(c5)c6ocnc6)c3n2 |
SMILES | CACTVS | 3.385 | FC(F)(F)c1cccc(c1)c2ccc3[N]4CC[CH](C4)N(C(=O)Nc5cccc(c5)c6ocnc6)c3n2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(cc(c1)C(F)(F)F)c2ccc3c(n2)N([C@H]4CC[N@@]3C4)C(=O)Nc5cccc(c5)c6cnco6 |
SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(cc(c1)C(F)(F)F)c2ccc3c(n2)N(C4CCN3C4)C(=O)Nc5cccc(c5)c6cnco6 |