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

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(5-bromanyl-2-ethoxy-phenyl)methyl]piperazine Openeye Name: 1-[1,3-benzodioxol-5-yl-(5-bromo-2-ethoxy-phenyl)methyl]piperazine CAS Name: 1-[1,3-benzodioxol-5-yl-(5-bromo-2-ethoxyphenyl)methyl]piperazine IUPAC Name: 1-[1,3-benzodioxol-5-yl-(5-bromo-2-ethoxyphenyl)methyl]piperazine Traditional Name: 1-[1,3-benzodioxol-5-yl-(5-bromo-2-ethoxy-phenyl)methyl]piperazine Formula: C20H23BrN2O3 MolecularWeight: 419.31222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(C2=CC3=C(C=C2)OCO3)N4CCNCC4

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(C2=CC3=C(C=C2)OCO3)N4CCNCC4

InChI

InChI=1S/C20H23BrN2O3/c1-2-24-17-6-4-15(21)12-16(17)20(23-9-7-22-8-10-23)14-3-5-18-19(11-14)26-13-25-18/h3-6,11-12,20,22H,2,7-10,13H2,1H3