3-[4-[[3-[3-(azepan-1-yl)-2-oxidanyl-propoxy]phenyl]methyl]piperazin-1-yl]propanamide

Systemtic Name: 3-[4-[[3-[3-(azepan-1-yl)-2-oxidanyl-propoxy]phenyl]methyl]piperazin-1-yl]propanamide Openeye Name: 3-[4-[[3-[3-(azepan-1-yl)-2-hydroxy-propoxy]phenyl]methyl]piperazin-1-yl]propanamide CAS Name: 3-[4-[[3-[3-(1-azepanyl)-2-hydroxypropoxy]phenyl]methyl]-1-piperazinyl]propanamide IUPAC Name: 3-[4-[[3-[3-(azepan-1-yl)-2-hydroxypropoxy]phenyl]methyl]piperazin-1-yl]propanamide Traditional Name: 3-[4-[3-[3-(azepan-1-yl)-2-hydroxy-propoxy]benzyl]piperazino]propionamide Formula: C23H38N4O3 MolecularWeight: 418.57282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC(COC2=CC=CC(=C2)CN3CCN(CC3)CCC(=O)N)O

Isomeric SMILES

C1CCCN(CC1)CC(COC2=CC=CC(=C2)CN3CCN(CC3)CCC(=O)N)O

InChI

InChI=1S/C23H38N4O3/c24-23(29)8-11-25-12-14-27(15-13-25)17-20-6-5-7-22(16-20)30-19-21(28)18-26-9-3-1-2-4-10-26/h5-7,16,21,28H,1-4,8-15,17-19H2,(H2,24,29)