EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:188506 - 5-(4-Fluorophenyl)-2-(1-methylethyl)-1-(3-oxopropyl)-N,4-diphenyl-1H-pyrrole-3-carboxamide

ChEBI IDCHEBI:188506
ChEBI Name5-(4-Fluorophenyl)-2-(1-methylethyl)-1-(3-oxopropyl)-N,4-diphenyl-1H-pyrrole-3-carboxamide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H27FN2O2
Net Charge0
Average Mass454.545
Monoisotopic Mass454.20566
SMILESCC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCC=O
InChIInChI=1S/C29H27FN2O2/c1-20(2)27-26(29(34)31-24-12-7-4-8-13-24)25(21-10-5-3-6-11-21)28(32(27)18-9-19-33)22-14-16-23(30)17-15-22/h3-8,10-17,19-20H,9,18H2,1-2H3,(H,31,34)
InChIKeyVHFAMHWIQKTZMV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
ChEBI Ontology
Outgoing Relation(s)
5-(4-Fluorophenyl)-2-(1-methylethyl)-1-(3-oxopropyl)-N,4-diphenyl-1H-pyrrole-3-carboxamide (CHEBI:188506) is a pyrroles (CHEBI:26455)
IUPAC Name 
5-(4-luorophenyl)-1-(3-oxopropyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide
Manual XrefsDatabases
9480548ChemSpider