EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:87784 - GR 65630

ChEBI IDCHEBI:87784
ChEBI NameGR 65630
Stars
DefinitionA member of the class of methylindoles that is 1-methylindole substituted at position 3 by a 3-(4-methylimidazol-5-yl)propanoyl group.
Last Modified6 October 2015
SubmitterSandra Orchard
DownloadsMolfile
FormulaC16H17N3O
Net Charge0
Average Mass267.332
Monoisotopic Mass267.13716
SMILESCc1ncnc1CCC(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C16H17N3O/c1-11-14(18-10-17-11)7-8-16(20)13-9-19(2)15-6-4-3-5-12(13)15/h3-6,9-10H,7-8H2,1-2H3,(H,17,18)
InChIKeyQZNZJWLUNDXZQA-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
GR 65630 (CHEBI:87784) is a aromatic ketone (CHEBI:76224)
GR 65630 (CHEBI:87784) is a imidazoles (CHEBI:24780)
GR 65630 (CHEBI:87784) is a methylindole (CHEBI:38460)
IUPAC Name 
3-(4-methyl-1H-imidazol-5-yl)-1-(1-methyl-1H-indol-3-yl)propan-1-one
Synonyms  Source
GR-65630ChemIDplus
3-(5-Methyl-1H-imidazol-4-yl)-1-(1-methyl-1H-indol-3-yl)-1-propanoneChemIDplus
GR65630ChEBI
Registry NumbersSources
Reaxys:6656966Reaxys
CAS:117186-80-8ChemIDplus