1-(1,3-benzodioxol-5-ylmethyl)-4-[(5-bromanyl-2,4-dimethoxy-phenyl)methyl]piperazine

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(5-bromanyl-2,4-dimethoxy-phenyl)methyl]piperazine Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(5-bromo-2,4-dimethoxy-phenyl)methyl]piperazine CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(5-bromo-2,4-dimethoxyphenyl)methyl]piperazine IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(5-bromo-2,4-dimethoxyphenyl)methyl]piperazine Traditional Name: 1-(5-bromo-2,4-dimethoxy-benzyl)-4-piperonyl-piperazine Formula: C21H25BrN2O4 MolecularWeight: 449.3382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)Br)OC

Isomeric SMILES

COC1=CC(=C(C=C1CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)Br)OC

InChI

InChI=1S/C21H25BrN2O4/c1-25-19-11-20(26-2)17(22)10-16(19)13-24-7-5-23(6-8-24)12-15-3-4-18-21(9-15)28-14-27-18/h3-4,9-11H,5-8,12-14H2,1-2H3