EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:116883 - 1-[1-[4-[(4-chlorophenyl)methoxy]phenyl]-2,5-dimethyl-3-pyrrolyl]-N-(1,2,4-triazol-4-yl)methanimine

ChEBI IDCHEBI:116883
ChEBI Name1-[1-[4-[(4-chlorophenyl)methoxy]phenyl]-2,5-dimethyl-3-pyrrolyl]-N-(1,2,4-triazol-4-yl)methanimine
Stars
DownloadsMolfile
FormulaC22H20ClN5O
Net Charge0
Average Mass405.889
Monoisotopic Mass405.13564
SMILESCc1cc(C=Nn2cnnc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H20ClN5O/c1-16-11-19(12-26-27-14-24-25-15-27)17(2)28(16)21-7-9-22(10-8-21)29-13-18-3-5-20(23)6-4-18/h3-12,14-15H,13H2,1-2H3
InChIKeyJAMPQIXPGFUGOH-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[1-[4-[(4-chlorophenyl)methoxy]phenyl]-2,5-dimethyl-3-pyrrolyl]-N-(1,2,4-triazol-4-yl)methanimine (CHEBI:116883) is a pyrroles (CHEBI:26455)
Manual XrefsDatabases
LSM-28334LINCS