4-[[3-(3-morpholin-4-yl-2-oxidanyl-propoxy)phenyl]methyl]-1,4-diazepane-1-carbaldehyde

Systemtic Name: 4-[[3-(3-morpholin-4-yl-2-oxidanyl-propoxy)phenyl]methyl]-1,4-diazepane-1-carbaldehyde Openeye Name: 4-[[3-(2-hydroxy-3-morpholino-propoxy)phenyl]methyl]-1,4-diazepane-1-carbaldehyde CAS Name: 4-[[3-[2-hydroxy-3-(4-morpholinyl)propoxy]phenyl]methyl]-1,4-diazepane-1-carboxaldehyde IUPAC Name: 4-[[3-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]methyl]-1,4-diazepane-1-carbaldehyde Traditional Name: 4-[3-(2-hydroxy-3-morpholino-propoxy)benzyl]-1,4-diazepane-1-carbaldehyde Formula: C20H31N3O4 MolecularWeight: 377.47784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C=O)CC2=CC(=CC=C2)OCC(CN3CCOCC3)O

Isomeric SMILES

C1CN(CCN(C1)C=O)CC2=CC(=CC=C2)OCC(CN3CCOCC3)O

InChI

InChI=1S/C20H31N3O4/c24-17-23-6-2-5-21(7-8-23)14-18-3-1-4-20(13-18)27-16-19(25)15-22-9-11-26-12-10-22/h1,3-4,13,17,19,25H,2,5-12,14-16H2