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CHEBI:193583 - N-({(2R,4S,5R)-5-[3-(3,4-Dimethoxyphenyl)-1-methyl-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl}methyl)-2,2-dimethylpropanamide

ChEBI IDCHEBI:193583
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)-2,2-dimethylpropanamide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H36N4O3
Net Charge0
Average Mass440.588
Monoisotopic Mass440.27874
SMILES[H][C@@]12CCN(C[C@]1([H])c1cc(-c3ccc(OC)c(OC)c3)nn1C)[C@@H](CNC(=O)C(C)(C)C)C2
InChIInChI=1S/C25H36N4O3/c1-25(2,3)24(30)26-14-18-11-16-9-10-29(18)15-19(16)21-13-20(27-28(21)4)17-7-8-22(31-5)23(12-17)32-6/h7-8,12-13,16,18-19H,9-11,14-15H2,1-6H3,(H,26,30)/t16-,18+,19-/m0/s1
InChIKeyFFSCWMCXOMDFOS-UHOSZYNNSA-N
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)-2,2-dimethylpropanamide (CHEBI:193583) 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)-2,2-dimethylpropanamide (CHEBI:193583) 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]-2,2-dimethylpropanamide
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