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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:09:08 UTC
Update Date2025-03-25 00:57:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02222488
Frequency0.5
Structure
Chemical FormulaC17H14ClN3O
Molecular Mass311.0825
SMILESO=C1NCC(=C2c3ccc(Cl)cc3CCc3cccnc32)N1
InChI KeyQLYPXTDTDXWJTN-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
  • benzenoids
  • carbonyl compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazolidinones
  • organic carbonic acids and derivatives
  • organic oxides
  • organochlorides
  • organonitrogen compounds
  • organopnictogen compounds
  • polyhalopyridines
  • pyridines and derivatives
    • Substituents
  • imidazolidine
  • carbonyl group
  • polyhalopyridine
  • organochloride
  • organohalogen compound
  • imidazolidinone
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • aryl chloride
  • carbonic acid derivative
  • azacycle
  • heteroaromatic compound
  • aryl halide
  • pyridine
  • organic oxygen compound
  • benzocycloheptapyridine
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound