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CHEBI:230794 - (4-aminophenyl)(7-benzyl-3,7-diazabicyclo[3.3.1]non-3-yl)methanone

Default Structure
ChEBI IDCHEBI:230794
ChEBI Name(4-aminophenyl)(7-benzyl-3,7-diazabicyclo[3.3.1]non-3-yl)methanone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H25N3O
Net Charge0
Average Mass335.451
Monoisotopic Mass335.19976
SMILESNc1ccc(C(=O)N2CC3CC(CN(Cc4ccccc4)C3)C2)cc1
InChIInChI=1S/C21H25N3O/c22-20-8-6-19(7-9-20)21(25)24-14-17-10-18(15-24)13-23(12-17)11-16-4-2-1-3-5-16/h1-9,17-18H,10-15,22H2
InChIKeyDLNAKYFPFYUBDR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
(4-aminophenyl)(7-benzyl-3,7-diazabicyclo[3.3.1]non-3-yl)methanone (CHEBI:230794) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
(4-aminophenyl)-(7-benzyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone
Manual XrefsDatabases
64397ChemSpider
D09758KEGG DRUG