EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:128486 - (1R,5S)-6-(2-pyridinylmethyl)-7-[4-(3-pyridinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane

ChEBI IDCHEBI:128486
ChEBI Name(1R,5S)-6-(2-pyridinylmethyl)-7-[4-(3-pyridinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane
Stars
DownloadsMolfile
FormulaC22H22N4
Net Charge0
Average Mass342.446
Monoisotopic Mass342.18445
SMILESc1ccc(CN2[C@@H]3CNC[C@H]2C3c2ccc(-c3cccnc3)cc2)nc1
InChIInChI=1S/C22H22N4/c1-2-11-25-19(5-1)15-26-20-13-24-14-21(26)22(20)17-8-6-16(7-9-17)18-4-3-10-23-12-18/h1-12,20-22,24H,13-15H2/t20-,21+,22?
InChIKeyIOOKZCUZIZVBKV-CBQGHPETSA-N
ChEBI Ontology
Outgoing Relation(s)
(1R,5S)-6-(2-pyridinylmethyl)-7-[4-(3-pyridinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane (CHEBI:128486) is a piperidines (CHEBI:26151)
Manual XrefsDatabases
LSM-40040LINCS