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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:45:01 UTC
Update Date2025-03-25 00:48:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02167135
Frequency0.5
Structure
Chemical FormulaC28H27ClN2O
Molecular Mass442.1812
SMILESCC(C(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1)c1ccccc1
InChI KeyTZPCFXYDSUZYPA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzocycloheptapyridines
Subclass benzocycloheptapyridines
Direct Parent benzocycloheptapyridines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • aryl chlorides
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • methylpyridines
  • n-acylpiperidines
  • organic oxides
  • organochlorides
  • organonitrogen compounds
  • organopnictogen compounds
  • phenylacetamides
  • polyhalopyridines
  • tertiary carboxylic acid amides
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • polyhalopyridine
  • organochloride
  • carboxylic acid derivative
  • organohalogen compound
  • organic oxide
  • aromatic heteropolycyclic compound
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • piperidine
  • phenylacetamide
  • aryl chloride
  • azacycle
  • heteroaromatic compound
  • methylpyridine
  • carboxamide group
  • aryl halide
  • n-acyl-piperidine
  • pyridine
  • organic oxygen compound
  • benzocycloheptapyridine
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound