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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[1-[4-(diethylamino)phenyl]-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-N-phenylacetamide
ChEBI ID CHEBI:109631
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C27H37N3O2
Net Charge 0
Average Mass 435.603
Monoisotopic Mass 435.28858
InChI InChI=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)
InChIKey JLTGEHTYNHUIRG-UHFFFAOYSA-N
SMILES CCN(CC)C1=CC=C(C=C1)C2C3CCCCC3(CCN2CC(=O)NC4=CC=CC=C4)O
ChEBI Ontology
Outgoing 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 Xref Database
LSM-21059 LINCS
View more database links