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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:20:27 UTC
Update Date2025-03-21 18:36:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00111440
Frequency23.9
Structure
Chemical FormulaC21H23ClN2O2
Molecular Mass370.1448
SMILESCCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCn3cccc32)CC1
InChI KeyDJGIUGIQJCPGMT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzazepines
Subclass benzazepines
Direct Parent benzazepines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • aryl chlorides
  • azacyclic compounds
  • azepines
  • benzenoids
  • carbamate esters
  • carbonyl compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic carbonic acids and derivatives
  • organic oxides
  • organochlorides
  • organonitrogen compounds
  • organopnictogen compounds
  • piperidinecarboxylic acids
  • piperidines
  • pyrroles
  • pyrroloazepines
    • Substituents
  • carbonyl group
  • organochloride
  • organohalogen compound
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • piperidinecarboxylic acid
  • piperidine
  • aryl chloride
  • pyrroloazepine
  • carbonic acid derivative
  • azacycle
  • heteroaromatic compound
  • carbamic acid ester
  • aryl halide
  • organic oxygen compound
  • azepine
  • pyrrole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • benzazepine
  • organooxygen compound