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

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ChEBI Name 1-(4-butylbenzyl)isoquinoline ChEBI ID CHEBI:78683 Definition A member of the class of isoquinolines that is 1-benzylisoquinoline carrying an additional butyl substituent at position 4 on the phenyl ring. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C20H21N Net Charge 0 Average Mass 275.38740 Monoisotopic Mass 275.16740 InChI InChI=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 InChIKey WCAVKYHIWOXXMB-UHFFFAOYSA-N SMILES CCCCc1ccc(Cc2nccc3ccccc23)cc1 ChEBI Ontology Outgoing 1-(4-butylbenzyl)isoquinoline (CHEBI:78683) is a isoquinolines (CHEBI:24922) IUPAC Name 1-(4-butylbenzyl)isoquinoline Registry Number Type Source 13496023 Reaxys Registry Number Reaxys Last Modified 03 June 2014