EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:114690 - N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-5-(6-oxo-1-cyclohexa-2,4-dienylidene)-2H-isoxazole-3-carboxamide

ChEBI IDCHEBI:114690
ChEBI NameN-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-5-(6-oxo-1-cyclohexa-2,4-dienylidene)-2H-isoxazole-3-carboxamide
Stars
DownloadsMolfile
FormulaC21H18N4O4
Net Charge0
Average Mass390.399
Monoisotopic Mass390.13281
SMILESCc1c(NC(=O)C2=CC(=C3C=CC=CC3=O)ON2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C21H18N4O4/c1-13-19(21(28)25(24(13)2)14-8-4-3-5-9-14)22-20(27)16-12-18(29-23-16)15-10-6-7-11-17(15)26/h3-12,23H,1-2H3,(H,22,27)
InChIKeyZJNQPZQMEZUSHO-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-5-(6-oxo-1-cyclohexa-2,4-dienylidene)-2H-isoxazole-3-carboxamide (CHEBI:114690) is a pyrazoles (CHEBI:26410)
N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-5-(6-oxo-1-cyclohexa-2,4-dienylidene)-2H-isoxazole-3-carboxamide (CHEBI:114690) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-26152LINCS