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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:32 UTC
Update Date2025-03-25 00:47:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02159163
Frequency0.5
Structure
Chemical FormulaC22H26ClN3O2
Molecular Mass399.1714
SMILESOCCOCCN1CCN(C2=Nc3ccccc3Cc3cc(Cl)ccc32)CC1
InChI KeyYEXVSDYOEMSMSV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzazepines
Subclass benzazepines
Direct Parent benzazepines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alcohols and polyols
  • amidines
  • aryl chlorides
  • azacyclic compounds
  • azepines
  • benzenoids
  • dialkyl ethers
  • hydrocarbon derivatives
  • imidolactams
  • n-alkylpiperazines
  • organochlorides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • trialkylamines
    • Substituents
  • ether
  • organochloride
  • amidine
  • organohalogen compound
  • dialkyl ether
  • propargyl-type 1,3-dipolar organic compound
  • piperazine
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • imidolactam
  • tertiary amine
  • aryl chloride
  • alcohol
  • azacycle
  • n-alkylpiperazine
  • tertiary aliphatic amine
  • organic 1,3-dipolar compound
  • aryl halide
  • organic oxygen compound
  • azepine
  • 1,4-diazinane
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • benzazepine
  • amine
  • organooxygen compound