EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:125053 - 2-(dimethylamino)-1-[(1S,5R)-7-[4-(3-methylphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]ethanone

ChEBI IDCHEBI:125053
ChEBI Name2-(dimethylamino)-1-[(1S,5R)-7-[4-(3-methylphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]ethanone
Stars
DownloadsMolfile
FormulaC22H27N3O
Net Charge0
Average Mass349.478
Monoisotopic Mass349.21541
SMILESCc1cccc(-c2ccc(C3[C@@H]4CN(C(=O)CN(C)C)C[C@H]3N4)cc2)c1
InChIInChI=1S/C22H27N3O/c1-15-5-4-6-18(11-15)16-7-9-17(10-8-16)22-19-12-25(13-20(22)23-19)21(26)14-24(2)3/h4-11,19-20,22-23H,12-14H2,1-3H3/t19-,20+,22?
InChIKeyOGQOLYDNZCCCAU-RLAPIPATSA-N
ChEBI Ontology
Outgoing Relation(s)
2-(dimethylamino)-1-[(1S,5R)-7-[4-(3-methylphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]ethanone (CHEBI:125053) is a piperidines (CHEBI:26151)
Manual XrefsDatabases
LSM-36515LINCS