EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:125135 - [(1R,5S)-7-[4-(4-methoxyphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-(2-pyrazinyl)methanone

ChEBI IDCHEBI:125135
ChEBI Name[(1R,5S)-7-[4-(4-methoxyphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-(2-pyrazinyl)methanone
Stars
DownloadsMolfile
FormulaC23H22N4O2
Net Charge0
Average Mass386.455
Monoisotopic Mass386.17428
SMILESCOc1ccc(-c2ccc(C3[C@@H]4CN(C(=O)c5cnccn5)C[C@H]3N4)cc2)cc1
InChIInChI=1S/C23H22N4O2/c1-29-18-8-6-16(7-9-18)15-2-4-17(5-3-15)22-20-13-27(14-21(22)26-20)23(28)19-12-24-10-11-25-19/h2-12,20-22,26H,13-14H2,1H3/t20-,21+,22?
InChIKeyNAGSQVHNDMUYLK-CBQGHPETSA-N
ChEBI Ontology
Outgoing Relation(s)
[(1R,5S)-7-[4-(4-methoxyphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-(2-pyrazinyl)methanone (CHEBI:125135) is a piperidines (CHEBI:26151)
Manual XrefsDatabases
LSM-36597LINCS