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

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ChEBI Name 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 ID CHEBI:189469
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H29FN4O2
Net Charge 0
Average Mass 448.542
Monoisotopic Mass 448.22745
InChI InChI=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
InChIKey XNQKIMQOJHGNIR-WPYKKVEZSA-N
SMILES FC1=CC=C(C2=NN(C([C@@]3([C@@]4(C[C@@H](N(C3)CC4)CNC(=O)C5=CC=C(OC)C=C5)[H])[H])=C2)C)C=C1
Metabolite of Species Details
Oryza sativa (NCBI:txid4530) Found in leaf sheath (BTO:0005094). See: MetaboLights Study
ChEBI Ontology
Outgoing 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
Manual Xref Database
21381012 ChemSpider
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