4-[[3-[3-(azepan-1-yl)-2-oxidanyl-propoxy]phenyl]methyl]piperazine-1-carbaldehyde

Systemtic Name: 4-[[3-[3-(azepan-1-yl)-2-oxidanyl-propoxy]phenyl]methyl]piperazine-1-carbaldehyde Openeye Name: 4-[[3-[3-(azepan-1-yl)-2-hydroxy-propoxy]phenyl]methyl]piperazine-1-carbaldehyde CAS Name: 4-[[3-[3-(1-azepanyl)-2-hydroxypropoxy]phenyl]methyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[[3-[3-(azepan-1-yl)-2-hydroxypropoxy]phenyl]methyl]piperazine-1-carbaldehyde Traditional Name: 4-[3-[3-(azepan-1-yl)-2-hydroxy-propoxy]benzyl]piperazine-1-carbaldehyde Formula: C21H33N3O3 MolecularWeight: 375.50502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC(COC2=CC=CC(=C2)CN3CCN(CC3)C=O)O

Isomeric SMILES

C1CCCN(CC1)CC(COC2=CC=CC(=C2)CN3CCN(CC3)C=O)O

InChI

InChI=1S/C21H33N3O3/c25-18-24-12-10-23(11-13-24)15-19-6-5-7-21(14-19)27-17-20(26)16-22-8-3-1-2-4-9-22/h5-7,14,18,20,26H,1-4,8-13,15-17H2