3-[2,3-dimethoxy-6-[[4-(phenylmethyl)piperazin-1-yl]methyl]phenoxy]propanamide

Systemtic Name: 3-[2,3-dimethoxy-6-[[4-(phenylmethyl)piperazin-1-yl]methyl]phenoxy]propanamide Openeye Name: 3-[6-[(4-benzylpiperazin-1-yl)methyl]-2,3-dimethoxy-phenoxy]propanamide CAS Name: 3-[2,3-dimethoxy-6-[[4-(phenylmethyl)-1-piperazinyl]methyl]phenoxy]propanamide IUPAC Name: 3-[6-[(4-benzylpiperazin-1-yl)methyl]-2,3-dimethoxyphenoxy]propanamide Traditional Name: 3-[6-[(4-benzylpiperazino)methyl]-2,3-dimethoxy-phenoxy]propionamide Formula: C23H31N3O4 MolecularWeight: 413.50994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CN2CCN(CC2)CC3=CC=CC=C3)OCCC(=O)N)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CN2CCN(CC2)CC3=CC=CC=C3)OCCC(=O)N)OC

InChI

InChI=1S/C23H31N3O4/c1-28-20-9-8-19(22(23(20)29-2)30-15-10-21(24)27)17-26-13-11-25(12-14-26)16-18-6-4-3-5-7-18/h3-9H,10-17H2,1-2H3,(H2,24,27)