EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:104994 - 1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)-4-pyrazolyl]methyl]-4-[(1-methyl-2-imidazolyl)methyl]piperazine

ChEBI IDCHEBI:104994
ChEBI Name1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)-4-pyrazolyl]methyl]-4-[(1-methyl-2-imidazolyl)methyl]piperazine
Stars
DownloadsMolfile
FormulaC26H29FN6
Net Charge0
Average Mass444.558
Monoisotopic Mass444.24377
SMILESCc1ccc(-n2cc(CN3CCN(Cc4nccn4C)CC3)c(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C26H29FN6/c1-20-3-9-24(10-4-20)33-18-22(26(29-33)21-5-7-23(27)8-6-21)17-31-13-15-32(16-14-31)19-25-28-11-12-30(25)2/h3-12,18H,13-17,19H2,1-2H3
InChIKeyNKVFJSGYMQEBRF-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)-4-pyrazolyl]methyl]-4-[(1-methyl-2-imidazolyl)methyl]piperazine (CHEBI:104994) is a pyrazoles (CHEBI:26410)
1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)-4-pyrazolyl]methyl]-4-[(1-methyl-2-imidazolyl)methyl]piperazine (CHEBI:104994) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-16357LINCS