EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:112312 - 5-bromo-3-[[2-(4-methyl-1-piperazinyl)-1-oxoethyl]amino]-2-benzofurancarboxylic acid ethyl ester

ChEBI IDCHEBI:112312
ChEBI Name5-bromo-3-[[2-(4-methyl-1-piperazinyl)-1-oxoethyl]amino]-2-benzofurancarboxylic acid ethyl ester
Stars
DownloadsMolfile
FormulaC18H22BrN3O4
Net Charge0
Average Mass424.295
Monoisotopic Mass423.07937
SMILESCCOC(=O)c1oc2ccc(Br)cc2c1NC(=O)CN1CCN(C)CC1
InChIInChI=1S/C18H22BrN3O4/c1-3-25-18(24)17-16(13-10-12(19)4-5-14(13)26-17)20-15(23)11-22-8-6-21(2)7-9-22/h4-5,10H,3,6-9,11H2,1-2H3,(H,20,23)
InChIKeyWGXCYXOTZCPXPU-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
5-bromo-3-[[2-(4-methyl-1-piperazinyl)-1-oxoethyl]amino]-2-benzofurancarboxylic acid ethyl ester (CHEBI:112312) is a amino acid amide (CHEBI:22475)
Manual XrefsDatabases
LSM-23724LINCS