1-(1,3-benzodioxol-5-ylmethyl)-4-[3-(4-fluorophenyl)-3-phenoxy-propyl]piperazine

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[3-(4-fluorophenyl)-3-phenoxy-propyl]piperazine Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[3-(4-fluorophenyl)-3-phenoxy-propyl]piperazine CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[3-(4-fluorophenyl)-3-phenoxypropyl]piperazine IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[3-(4-fluorophenyl)-3-phenoxypropyl]piperazine Traditional Name: 1-[3-(4-fluorophenyl)-3-phenoxy-propyl]-4-piperonyl-piperazine Formula: C27H29FN2O3 MolecularWeight: 448.529163

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(C2=CC=C(C=C2)F)OC3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCN1CCC(C2=CC=C(C=C2)F)OC3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H29FN2O3/c28-23-9-7-22(8-10-23)25(33-24-4-2-1-3-5-24)12-13-29-14-16-30(17-15-29)19-21-6-11-26-27(18-21)32-20-31-26/h1-11,18,25H,12-17,19-20H2