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CHEBI:189469 - N-({(2r,4s,5r)-5-[3-(4-fluorophenyl)-1-methyl-1h-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl}methyl)-4-methoxybenzamide

ChEBI IDCHEBI:189469
ChEBI NameN-({(2r,4s,5r)-5-[3-(4-fluorophenyl)-1-methyl-1h-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl}methyl)-4-methoxybenzamide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H29FN4O2
Net Charge0
Average Mass448.542
Monoisotopic Mass448.22745
SMILES[H][C@@]12CCN(C[C@]1([H])c1cc(-c3ccc(F)cc3)nn1C)[C@@H](CNC(=O)c1ccc(OC)cc1)C2
InChIInChI=1S/C26H29FN4O2/c1-30-25(14-24(29-30)17-3-7-20(27)8-4-17)23-16-31-12-11-19(23)13-21(31)15-28-26(32)18-5-9-22(33-2)10-6-18/h3-10,14,19,21,23H,11-13,15-16H2,1-2H3,(H,28,32)/t19-,21+,23-/m0/s1
InChIKeyXNQKIMQOJHGNIR-WPYKKVEZSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) leaf sheath (BTO:0005094) MetaboLights (MTBLS3518)
ChEBI Ontology
Outgoing Relation(s)
N-({(2r,4s,5r)-5-[3-(4-fluorophenyl)-1-methyl-1h-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl}methyl)-4-methoxybenzamide (CHEBI:189469) is a pyrazoles (CHEBI:26410)
N-({(2r,4s,5r)-5-[3-(4-fluorophenyl)-1-methyl-1h-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl}methyl)-4-methoxybenzamide (CHEBI:189469) is a ring assembly (CHEBI:36820)
IUPAC Name 
N-[[(2R,4S,5R)-5-[5-(4-luorophenyl)-2-methylpyrazol-3-yl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]-4-methoxybenzamide
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