EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:115080 - [5-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-3-pyrazolyl]-(4-morpholinyl)methanone

ChEBI IDCHEBI:115080
ChEBI Name[5-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-3-pyrazolyl]-(4-morpholinyl)methanone
Stars
DownloadsMolfile
FormulaC20H16Cl3N3O2
Net Charge0
Average Mass436.726
Monoisotopic Mass435.03081
SMILESO=C(c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)c(Cl)c2)n1)N1CCOCC1
InChIInChI=1S/C20H16Cl3N3O2/c21-14-3-1-13(2-4-14)19-12-18(20(27)25-7-9-28-10-8-25)24-26(19)15-5-6-16(22)17(23)11-15/h1-6,11-12H,7-10H2
InChIKeyIRKIHPNDZGZDBJ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
[5-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-3-pyrazolyl]-(4-morpholinyl)methanone (CHEBI:115080) is a pyrazoles (CHEBI:26410)
[5-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-3-pyrazolyl]-(4-morpholinyl)methanone (CHEBI:115080) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-26542LINCS