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YBB

Summary
Name:4-(pyrrolidin-1-yl)-3-{(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl}benzamide
Formula:C20 H19 F3 N2 O2
Formal charge:0
Formula weight:376.372 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-(pyrrolidin-1-yl)-3-{(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl}benzamide
OpenEye OEToolkits2.0.74-pyrrolidin-1-yl-3-[(~{E})-2-[4-(trifluoromethyloxy)phenyl]ethenyl]benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01FC(F)(F)Oc1ccc(cc1)/C=C/c1cc(ccc1N1CCCC1)C(N)=O
InChIInChI1.06InChI=1S/C20H19F3N2O2/c21-20(22,23)27-17-8-4-14(5-9-17)3-6-15-13-16(19(24)26)7-10-18(15)25-11-1-2-12-25/h3-10,13H,1-2,11-12H2,(H2,24,26)
InChIKeyInChI1.06QQRLGTQPIXISFJ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385NC(=O)c1ccc(N2CCCC2)c(/C=C/c3ccc(OC(F)(F)F)cc3)c1
SMILESCACTVS3.385NC(=O)c1ccc(N2CCCC2)c(C=Cc3ccc(OC(F)(F)F)cc3)c1
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(ccc1/C=C/c2cc(ccc2N3CCCC3)C(=O)N)OC(F)(F)F
SMILESOpenEye OEToolkits2.0.7c1cc(ccc1C=Cc2cc(ccc2N3CCCC3)C(=O)N)OC(F)(F)F

250835

PDB entries from 2026-03-18

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