1-[(3-bromophenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine

Systemtic Name: 1-[(3-bromophenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine Openeye Name: 1-[(3-bromophenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine CAS Name: 1-[(3-bromophenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine IUPAC Name: 1-[(3-bromophenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine Traditional Name: 1-(3-bromobenzyl)-4-(3,4,5-trimethoxybenzyl)piperazine Formula: C21H27BrN2O3 MolecularWeight: 435.35468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CN2CCN(CC2)CC3=CC(=CC=C3)Br

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CN2CCN(CC2)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C21H27BrN2O3/c1-25-19-12-17(13-20(26-2)21(19)27-3)15-24-9-7-23(8-10-24)14-16-5-4-6-18(22)11-16/h4-6,11-13H,7-10,14-15H2,1-3H3