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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:13:02 UTC
Update Date2025-03-25 00:58:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02231071
Frequency0.5
Structure
Chemical FormulaC21H23N3O2
Molecular Mass349.179
SMILESCCOC(=O)N1CCC(=C2c3ccccc3CNc3cccnc32)CC1
InChI KeyFOOBFCFWGVHTIX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzazepines
Subclass benzazepines
Direct Parent benzazepines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • azacyclic compounds
  • azepines
  • benzenoids
  • carbamate esters
  • carbonyl compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • methylpyridines
  • organic carbonic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • piperidinecarboxylic acids
  • piperidines
  • polyhalopyridines
  • secondary alkylarylamines
    • Substituents
  • carbonyl group
  • polyhalopyridine
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • piperidinecarboxylic acid
  • 2-halopyridine
  • piperidine
  • carbonic acid derivative
  • azacycle
  • heteroaromatic compound
  • carbamic acid ester
  • methylpyridine
  • secondary amine
  • secondary aliphatic/aromatic amine
  • pyridine
  • organic oxygen compound
  • azepine
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • benzazepine
  • amine
  • organooxygen compound