1-(1,3-benzodioxol-5-ylmethyl)-4-[[3-(4-chloranylphenoxy)phenyl]methyl]piperazine

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[3-(4-chloranylphenoxy)phenyl]methyl]piperazine Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine Traditional Name: 1-[3-(4-chlorophenoxy)benzyl]-4-piperonyl-piperazine Formula: C25H25ClN2O3 MolecularWeight: 436.9306

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)OC3=CC=C(C=C3)Cl)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)OC3=CC=C(C=C3)Cl)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H25ClN2O3/c26-21-5-7-22(8-6-21)31-23-3-1-2-19(14-23)16-27-10-12-28(13-11-27)17-20-4-9-24-25(15-20)30-18-29-24/h1-9,14-15H,10-13,16-18H2