1-(1,3-benzodioxol-5-ylmethyl)-4-[3-(2-fluoranyl-5-methyl-phenoxy)-3-phenyl-propyl]piperazine

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[3-(2-fluoranyl-5-methyl-phenoxy)-3-phenyl-propyl]piperazine Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[3-(2-fluoro-5-methyl-phenoxy)-3-phenyl-propyl]piperazine CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[3-(2-fluoro-5-methylphenoxy)-3-phenylpropyl]piperazine IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[3-(2-fluoro-5-methylphenoxy)-3-phenylpropyl]piperazine Traditional Name: 1-[3-(2-fluoro-5-methyl-phenoxy)-3-phenyl-propyl]-4-piperonyl-piperazine Formula: C28H31FN2O3 MolecularWeight: 462.555743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)F)OC(CCN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(C=C1)F)OC(CCN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C28H31FN2O3/c1-21-7-9-24(29)27(17-21)34-25(23-5-3-2-4-6-23)11-12-30-13-15-31(16-14-30)19-22-8-10-26-28(18-22)33-20-32-26/h2-10,17-18,25H,11-16,19-20H2,1H3