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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[3-(2-chloranylphenoxy)-3-phenyl-propyl]piperazine Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[3-(2-chlorophenoxy)-3-phenyl-propyl]piperazine CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[3-(2-chlorophenoxy)-3-phenylpropyl]piperazine IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[3-(2-chlorophenoxy)-3-phenylpropyl]piperazine Traditional Name: 1-[3-(2-chlorophenoxy)-3-phenyl-propyl]-4-piperonyl-piperazine Formula: C27H29ClN2O3 MolecularWeight: 464.98376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(C2=CC=CC=C2)OC3=CC=CC=C3Cl)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCN1CCC(C2=CC=CC=C2)OC3=CC=CC=C3Cl)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H29ClN2O3/c28-23-8-4-5-9-25(23)33-24(22-6-2-1-3-7-22)12-13-29-14-16-30(17-15-29)19-21-10-11-26-27(18-21)32-20-31-26/h1-11,18,24H,12-17,19-20H2