EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:228700 - 2-(4-chlorophenoxy)-N-(2-oxo-3-azepanyl)nicotinamide

ChEBI IDCHEBI:228700
ChEBI Name2-(4-chlorophenoxy)-N-(2-oxo-3-azepanyl)nicotinamide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H18ClN3O3
Net Charge0
Average Mass359.813
Monoisotopic Mass359.10367
SMILESO=C(NC1CCCCNC1=O)c1cccnc1Oc1ccc(Cl)cc1
InChIInChI=1S/C18H18ClN3O3/c19-12-6-8-13(9-7-12)25-18-14(4-3-11-21-18)16(23)22-15-5-1-2-10-20-17(15)24/h3-4,6-9,11,15H,1-2,5,10H2,(H,20,24)(H,22,23)
InChIKeyBSEXIUBTXJEHRH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
2-(4-chlorophenoxy)-N-(2-oxo-3-azepanyl)nicotinamide (CHEBI:228700) is a aromatic ether (CHEBI:35618)
IUPAC Name 
2-(4-chlorophenoxy)-N-(2-oxoazepan-3-yl)pyridine-3-carboxamide
Manual XrefsDatabases
2020302ChemSpider