EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:107311 - 4-[[(5-methyl-3-isoxazolyl)amino]methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3-dione

ChEBI IDCHEBI:107311
ChEBI Name4-[[(5-methyl-3-isoxazolyl)amino]methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3-dione
Stars
DownloadsMolfile
FormulaC21H14F3N3O3
Net Charge0
Average Mass413.355
Monoisotopic Mass413.09873
SMILESCc1cc(NC=C2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)c3ccccc32)no1
InChIInChI=1S/C21H14F3N3O3/c1-12-9-18(26-30-12)25-11-17-15-7-2-3-8-16(15)19(28)27(20(17)29)14-6-4-5-13(10-14)21(22,23)24/h2-11H,1H3,(H,25,26)
InChIKeyFDYWWOBXWBUXPF-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[[(5-methyl-3-isoxazolyl)amino]methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3-dione (CHEBI:107311) is a isoquinolines (CHEBI:24922)
Manual XrefsDatabases
LSM-18665LINCS