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CHEBI:189527 - N-({(2r,4s,5r)-5-[3-(3,4-dimethoxyphenyl)-1-methyl-1h-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl}methyl)-2-ethylbutanamide

ChEBI IDCHEBI:189527
ChEBI NameN-({(2r,4s,5r)-5-[3-(3,4-dimethoxyphenyl)-1-methyl-1h-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl}methyl)-2-ethylbutanamide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H38N4O3
Net Charge0
Average Mass454.615
Monoisotopic Mass454.29439
SMILES[H][C@@]12CCN(C[C@]1([H])c1cc(-c3ccc(OC)c(OC)c3)nn1C)[C@@H](CNC(=O)C(CC)CC)C2
InChIInChI=1S/C26H38N4O3/c1-6-17(7-2)26(31)27-15-20-12-18-10-11-30(20)16-21(18)23-14-22(28-29(23)3)19-8-9-24(32-4)25(13-19)33-5/h8-9,13-14,17-18,20-21H,6-7,10-12,15-16H2,1-5H3,(H,27,31)/t18-,20+,21-/m0/s1
InChIKeyWNYAYSNQIPQABA-TYPHKJRUSA-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-(3,4-dimethoxyphenyl)-1-methyl-1h-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl}methyl)-2-ethylbutanamide (CHEBI:189527) is a pyrazoles (CHEBI:26410)
N-({(2r,4s,5r)-5-[3-(3,4-dimethoxyphenyl)-1-methyl-1h-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl}methyl)-2-ethylbutanamide (CHEBI:189527) is a ring assembly (CHEBI:36820)
IUPAC Name 
N-[[(2R,4S,5R)-5-[5-(3,4-dimethoxyphenyl)-2-methylpyrazol-3-yl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]-2-ethylbutanamide
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