1-[(3-bromophenyl)methyl]-4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazine

Systemtic Name: 1-[(3-bromophenyl)methyl]-4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazine Openeye Name: 1-[(3-bromophenyl)methyl]-4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazine CAS Name: 1-[(3-bromophenyl)methyl]-4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazine IUPAC Name: 1-[(3-bromophenyl)methyl]-4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazine Traditional Name: 1-(3-bromobenzyl)-4-(3-ethoxy-4-methoxy-benzyl)piperazine Formula: C21H27BrN2O2 MolecularWeight: 419.35528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CN2CCN(CC2)CC3=CC(=CC=C3)Br)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)CN2CCN(CC2)CC3=CC(=CC=C3)Br)OC

InChI

InChI=1S/C21H27BrN2O2/c1-3-26-21-14-18(7-8-20(21)25-2)16-24-11-9-23(10-12-24)15-17-5-4-6-19(22)13-17/h4-8,13-14H,3,9-12,15-16H2,1-2H3