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CHEBI:78683 - 1-(4-butylbenzyl)isoquinoline

ChEBI IDCHEBI:78683
ChEBI Name1-(4-butylbenzyl)isoquinoline
Stars
DefinitionA member of the class of isoquinolines that is 1-benzylisoquinoline carrying an additional butyl substituent at position 4 on the phenyl ring.
Last Modified3 June 2014
SubmitterSteve
DownloadsMolfile
FormulaC20H21N
Net Charge0
Average Mass275.395
Monoisotopic Mass275.16740
SMILESCCCCc1ccc(Cc2nccc3ccccc23)cc1
InChIInChI=1S/C20H21N/c1-2-3-6-16-9-11-17(12-10-16)15-20-19-8-5-4-7-18(19)13-14-21-20/h4-5,7-14H,2-3,6,15H2,1H3
InChIKeyWCAVKYHIWOXXMB-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-(4-butylbenzyl)isoquinoline (CHEBI:78683) is a isoquinolines (CHEBI:24922)
IUPAC Name 
1-(4-butylbenzyl)isoquinoline
Registry NumbersSources
Reaxys:13496023Reaxys