N-[[2-(3-morpholin-4-yl-2-oxidanyl-propyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]benzamide

Systemtic Name: N-[[2-(3-morpholin-4-yl-2-oxidanyl-propyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]benzamide Openeye Name: N-[[2-(2-hydroxy-3-morpholino-propyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]benzamide CAS Name: N-[[2-[2-hydroxy-3-(4-morpholinyl)propyl]-3,4-dihydro-1H-isoquinolin-1-yl]methyl]benzamide IUPAC Name: N-[[2-(2-hydroxy-3-morpholin-4-ylpropyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]benzamide Traditional Name: N-[[2-(2-hydroxy-3-morpholino-propyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]benzamide Formula: C24H31N3O3 MolecularWeight: 409.52124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)CNC(=O)C3=CC=CC=C3)CC(CN4CCOCC4)O

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)CNC(=O)C3=CC=CC=C3)CC(CN4CCOCC4)O

InChI

InChI=1S/C24H31N3O3/c28-21(17-26-12-14-30-15-13-26)18-27-11-10-19-6-4-5-9-22(19)23(27)16-25-24(29)20-7-2-1-3-8-20/h1-9,21,23,28H,10-18H2,(H,25,29)