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

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(2-bromanyl-4,5-dimethoxy-phenyl)methyl]piperazine Openeye Name: 1-[1,3-benzodioxol-5-yl-(2-bromo-4,5-dimethoxy-phenyl)methyl]piperazine CAS Name: 1-[1,3-benzodioxol-5-yl-(2-bromo-4,5-dimethoxyphenyl)methyl]piperazine IUPAC Name: 1-[1,3-benzodioxol-5-yl-(2-bromo-4,5-dimethoxyphenyl)methyl]piperazine Traditional Name: 1-[1,3-benzodioxol-5-yl-(2-bromo-4,5-dimethoxy-phenyl)methyl]piperazine Formula: C20H23BrN2O4 MolecularWeight: 435.31162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(C2=CC3=C(C=C2)OCO3)N4CCNCC4)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(C2=CC3=C(C=C2)OCO3)N4CCNCC4)Br)OC

InChI

InChI=1S/C20H23BrN2O4/c1-24-17-10-14(15(21)11-18(17)25-2)20(23-7-5-22-6-8-23)13-3-4-16-19(9-13)27-12-26-16/h3-4,9-11,20,22H,5-8,12H2,1-2H3