XO1

4-{[5-({(2S)-2-butyl-5-oxo-4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl}methyl)-1H-imidazol-1-yl]methyl}-2-fluorobenzonitrile



Chemical Component Summary

Name4-{[5-({(2S)-2-butyl-5-oxo-4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl}methyl)-1H-imidazol-1-yl]methyl}-2-fluorobenzonitrile
Identifiers4-[[5-[[(2~{S})-2-butyl-5-oxidanylidene-4-[3-(trifluoromethyloxy)phenyl]piperazin-1-yl]methyl]imidazol-1-yl]methyl]-2-fluoranyl-benzenecarbonitrile
FormulaC27 H27 F4 N5 O2
Molecular Weight529.529
TypeNON-POLYMER
Isomeric SMILESCCCC[C@H]1CN(C(=O)CN1Cc2cncn2Cc3ccc(c(c3)F)C#N)c4cccc(c4)OC(F)(F)F
InChIInChI=1S/C27H27F4N5O2/c1-2-3-5-22-16-36(21-6-4-7-24(11-21)38-27(29,30)31)26(37)17-34(22)15-23-13-33-18-35(23)14-19-8-9-20(12-32)25(28)10-19/h4,6-11,13,18,22H,2-3,5,14-17H2,1H3/t22-/m0/s1
InChIKeyWRNSPFWIUHUJNC-QFIPXVFZSA-N

Chemical Details

Formal Charge0
Atom Count65
Chiral Atom Count1
Bond Count68
Aromatic Bond Count17

Related Resource References

Resource NameReference
PubChem 165416316