1-[3-(1,3-benzodioxol-5-yl)-3-phenoxy-propyl]-4-(2-methylphenyl)piperazine

Systemtic Name: 1-[3-(1,3-benzodioxol-5-yl)-3-phenoxy-propyl]-4-(2-methylphenyl)piperazine Openeye Name: 1-[3-(1,3-benzodioxol-5-yl)-3-phenoxy-propyl]-4-(o-tolyl)piperazine CAS Name: 1-[3-(1,3-benzodioxol-5-yl)-3-phenoxypropyl]-4-(2-methylphenyl)piperazine IUPAC Name: 1-[3-(1,3-benzodioxol-5-yl)-3-phenoxypropyl]-4-(2-methylphenyl)piperazine Traditional Name: 1-[3-(1,3-benzodioxol-5-yl)-3-phenoxy-propyl]-4-(o-tolyl)piperazine Formula: C27H30N2O3 MolecularWeight: 430.5387

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)CCC(C3=CC4=C(C=C3)OCO4)OC5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)CCC(C3=CC4=C(C=C3)OCO4)OC5=CC=CC=C5

InChI

InChI=1S/C27H30N2O3/c1-21-7-5-6-10-24(21)29-17-15-28(16-18-29)14-13-25(32-23-8-3-2-4-9-23)22-11-12-26-27(19-22)31-20-30-26/h2-12,19,25H,13-18,20H2,1H3