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CHEBI:167843 - 3-(benzylamino)-5-(4-chlorophenyl)cyclohex-2-en-1-one

ChEBI IDCHEBI:167843
ChEBI Name3-(benzylamino)-5-(4-chlorophenyl)cyclohex-2-en-1-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H18ClNO
Net Charge0
Average Mass311.812
Monoisotopic Mass311.10769
SMILESO=C1C=C(NCc2ccccc2)C[C@@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H18ClNO/c20-17-8-6-15(7-9-17)16-10-18(12-19(22)11-16)21-13-14-4-2-1-3-5-14/h1-9,12,16,21H,10-11,13H2/t16-/m1/s1
InChIKeyVCMYAMGOMKBIBC-MRXNPFEDSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) MetaboLights (MTBLS2542)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
3-(benzylamino)-5-(4-chlorophenyl)cyclohex-2-en-1-one (CHEBI:167843) is a aromatic amine (CHEBI:33860)
IUPAC Name 
3-(benzylamino)-5-(4-chlorophenyl)cyclohex-2-en-1-one
Manual XrefsDatabases
2084615ChemSpider