2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-N-[(3,4-dimethoxyphenyl)methyl]ethanamide

Systemtic Name: 2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-N-[(3,4-dimethoxyphenyl)methyl]ethanamide Openeye Name: 2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide CAS Name: 2-[4-[(3-bromophenyl)methyl]-1-piperazinyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide IUPAC Name: 2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide Traditional Name: 2-[4-(3-bromobenzyl)piperazino]-N-veratryl-acetamide Formula: C22H28BrN3O3 MolecularWeight: 462.38002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CN2CCN(CC2)CC3=CC(=CC=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CN2CCN(CC2)CC3=CC(=CC=C3)Br)OC

InChI

InChI=1S/C22H28BrN3O3/c1-28-20-7-6-17(13-21(20)29-2)14-24-22(27)16-26-10-8-25(9-11-26)15-18-4-3-5-19(23)12-18/h3-7,12-13H,8-11,14-16H2,1-2H3,(H,24,27)