1-[2-(6-bromanyl-3,4-dihydro-1H-isochromen-1-yl)ethyl]-4-(4-phenylmethoxyphenyl)piperazine

Systemtic Name: 1-[2-(6-bromanyl-3,4-dihydro-1H-isochromen-1-yl)ethyl]-4-(4-phenylmethoxyphenyl)piperazine Openeye Name: 1-(4-benzyloxyphenyl)-4-[2-(6-bromoisochroman-1-yl)ethyl]piperazine CAS Name: 1-[2-(6-bromo-3,4-dihydro-1H-2-benzopyran-1-yl)ethyl]-4-(4-phenylmethoxyphenyl)piperazine IUPAC Name: 1-[2-(6-bromo-3,4-dihydro-1H-isochromen-1-yl)ethyl]-4-(4-phenylmethoxyphenyl)piperazine Traditional Name: 1-(4-benzoxyphenyl)-4-[2-(6-bromoisochroman-1-yl)ethyl]piperazine Formula: C28H31BrN2O2 MolecularWeight: 507.46194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC(C2=C1C=C(C=C2)Br)CCN3CCN(CC3)C4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1COC(C2=C1C=C(C=C2)Br)CCN3CCN(CC3)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C28H31BrN2O2/c29-24-6-11-27-23(20-24)13-19-32-28(27)12-14-30-15-17-31(18-16-30)25-7-9-26(10-8-25)33-21-22-4-2-1-3-5-22/h1-11,20,28H,12-19,21H2