1-[[3-methoxy-2-(3-morpholin-4-yl-2-oxidanyl-propoxy)phenyl]methyl]-1,4-diazepan-5-one

Systemtic Name: 1-[[3-methoxy-2-(3-morpholin-4-yl-2-oxidanyl-propoxy)phenyl]methyl]-1,4-diazepan-5-one Openeye Name: 1-[[2-(2-hydroxy-3-morpholino-propoxy)-3-methoxy-phenyl]methyl]-1,4-diazepan-5-one CAS Name: 1-[[2-[2-hydroxy-3-(4-morpholinyl)propoxy]-3-methoxyphenyl]methyl]-1,4-diazepan-5-one IUPAC Name: 1-[[2-(2-hydroxy-3-morpholin-4-ylpropoxy)-3-methoxyphenyl]methyl]-1,4-diazepan-5-one Traditional Name: 1-[2-(2-hydroxy-3-morpholino-propoxy)-3-methoxy-benzyl]-1,4-diazepan-5-one Formula: C20H31N3O5 MolecularWeight: 393.47724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC(CN2CCOCC2)O)CN3CCC(=O)NCC3

Isomeric SMILES

COC1=CC=CC(=C1OCC(CN2CCOCC2)O)CN3CCC(=O)NCC3

InChI

InChI=1S/C20H31N3O5/c1-26-18-4-2-3-16(13-22-7-5-19(25)21-6-8-22)20(18)28-15-17(24)14-23-9-11-27-12-10-23/h2-4,17,24H,5-15H2,1H3,(H,21,25)