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CHEBI:189490 - N-{[(2r,4s,5r)-5-{2-methyl-6-[4-(trifluoromethyl)phenyl]-4-pyrimidinyl}-1-azabicyclo[2.2.2]oct-2-yl]methyl}cyclobutanecarboxamide

ChEBI IDCHEBI:189490
ChEBI NameN-{[(2r,4s,5r)-5-{2-methyl-6-[4-(trifluoromethyl)phenyl]-4-pyrimidinyl}-1-azabicyclo[2.2.2]oct-2-yl]methyl}cyclobutanecarboxamide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H29F3N4O
Net Charge0
Average Mass458.528
Monoisotopic Mass458.22935
SMILES[H][C@@]12CCN(C[C@]1([H])c1cc(-c3ccc(C(F)(F)F)cc3)nc(C)n1)[C@@H](CNC(=O)C1CCC1)C2
InChIInChI=1S/C25H29F3N4O/c1-15-30-22(16-5-7-19(8-6-16)25(26,27)28)12-23(31-15)21-14-32-10-9-18(21)11-20(32)13-29-24(33)17-3-2-4-17/h5-8,12,17-18,20-21H,2-4,9-11,13-14H2,1H3,(H,29,33)/t18-,20+,21-/m0/s1
InChIKeyLHSKHSOXHVRLAU-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-{2-methyl-6-[4-(trifluoromethyl)phenyl]-4-pyrimidinyl}-1-azabicyclo[2.2.2]oct-2-yl]methyl}cyclobutanecarboxamide (CHEBI:189490) is a pyrimidines (CHEBI:39447)
IUPAC Name 
N-[[(2R,4S,5R)-5-[2-methyl-6-[4-(triluoromethyl)phenyl]pyrimidin-4-yl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]cyclobutanecarboxamide
Manual XrefsDatabases
21382094ChemSpider