EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:109631 - 2-[1-[4-(diethylamino)phenyl]-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-N-phenylacetamide

ChEBI IDCHEBI:109631
ChEBI Name2-[1-[4-(diethylamino)phenyl]-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-N-phenylacetamide
Stars
DownloadsMolfile
FormulaC27H37N3O2
Net Charge0
Average Mass435.612
Monoisotopic Mass435.28858
SMILESCCN(CC)c1ccc(C2C3CCCCC3(O)CCN2CC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C27H37N3O2/c1-3-29(4-2)23-15-13-21(14-16-23)26-24-12-8-9-17-27(24,32)18-19-30(26)20-25(31)28-22-10-6-5-7-11-22/h5-7,10-11,13-16,24,26,32H,3-4,8-9,12,17-20H2,1-2H3,(H,28,31)
InChIKeyJLTGEHTYNHUIRG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[1-[4-(diethylamino)phenyl]-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-N-phenylacetamide (CHEBI:109631) is a piperidines (CHEBI:26151)
Manual XrefsDatabases
LSM-21059LINCS