EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:107308 - 1-(4-bromophenyl)-4-[1-naphthalenyl(oxo)methyl]-3-pyrazolecarboxylic acid ethyl ester

ChEBI IDCHEBI:107308
ChEBI Name1-(4-bromophenyl)-4-[1-naphthalenyl(oxo)methyl]-3-pyrazolecarboxylic acid ethyl ester
Stars
DownloadsMolfile
FormulaC23H17BrN2O3
Net Charge0
Average Mass449.304
Monoisotopic Mass448.04225
SMILESCCOC(=O)c1nn(-c2ccc(Br)cc2)cc1C(=O)c1cccc2ccccc12
InChIInChI=1S/C23H17BrN2O3/c1-2-29-23(28)21-20(14-26(25-21)17-12-10-16(24)11-13-17)22(27)19-9-5-7-15-6-3-4-8-18(15)19/h3-14H,2H2,1H3
InChIKeyZGEFYVLRNRIVJL-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-(4-bromophenyl)-4-[1-naphthalenyl(oxo)methyl]-3-pyrazolecarboxylic acid ethyl ester (CHEBI:107308) is a carbonyl compound (CHEBI:36586)
1-(4-bromophenyl)-4-[1-naphthalenyl(oxo)methyl]-3-pyrazolecarboxylic acid ethyl ester (CHEBI:107308) is a naphthalenes (CHEBI:25477)
Manual XrefsDatabases
LSM-18662LINCS