EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:116269 - 3-hydroxy-2-(3-methylphenyl)-5-nitro-N-[1-(phenylmethyl)-4-piperidinyl]-4-triazolimine

ChEBI IDCHEBI:116269
ChEBI Name3-hydroxy-2-(3-methylphenyl)-5-nitro-N-[1-(phenylmethyl)-4-piperidinyl]-4-triazolimine
Stars
DownloadsMolfile
FormulaC21H24N6O3
Net Charge0
Average Mass408.462
Monoisotopic Mass408.19099
SMILESCc1cccc(-n2nc([N+](=O)[O-])c(=NC3CCN(Cc4ccccc4)CC3)n2O)c1
InChIInChI=1S/C21H24N6O3/c1-16-6-5-9-19(14-16)25-23-21(27(29)30)20(26(25)28)22-18-10-12-24(13-11-18)15-17-7-3-2-4-8-17/h2-9,14,18,28H,10-13,15H2,1H3
InChIKeyZSEYFLVXUDVIEZ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-hydroxy-2-(3-methylphenyl)-5-nitro-N-[1-(phenylmethyl)-4-piperidinyl]-4-triazolimine (CHEBI:116269) is a piperidines (CHEBI:26151)
Manual XrefsDatabases
LSM-27724LINCS