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

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(5-bromanyl-2-methoxy-phenyl)methyl]piperazine Openeye Name: 1-[1,3-benzodioxol-5-yl-(5-bromo-2-methoxy-phenyl)methyl]piperazine CAS Name: 1-[1,3-benzodioxol-5-yl-(5-bromo-2-methoxyphenyl)methyl]piperazine IUPAC Name: 1-[1,3-benzodioxol-5-yl-(5-bromo-2-methoxyphenyl)methyl]piperazine Traditional Name: 1-[1,3-benzodioxol-5-yl-(5-bromo-2-methoxy-phenyl)methyl]piperazine Formula: C19H21BrN2O3 MolecularWeight: 405.28564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrN2O3/c1-23-16-5-3-14(20)11-15(16)19(22-8-6-21-7-9-22)13-2-4-17-18(10-13)25-12-24-17/h2-5,10-11,19,21H,6-9,12H2,1H3