1-[2-(6-bromanyl-3,4-dihydro-1H-isochromen-1-yl)ethyl]-4-(4-butoxyphenyl)piperazine

Systemtic Name: 1-[2-(6-bromanyl-3,4-dihydro-1H-isochromen-1-yl)ethyl]-4-(4-butoxyphenyl)piperazine Openeye Name: 1-[2-(6-bromoisochroman-1-yl)ethyl]-4-(4-butoxyphenyl)piperazine CAS Name: 1-[2-(6-bromo-3,4-dihydro-1H-2-benzopyran-1-yl)ethyl]-4-(4-butoxyphenyl)piperazine IUPAC Name: 1-[2-(6-bromo-3,4-dihydro-1H-isochromen-1-yl)ethyl]-4-(4-butoxyphenyl)piperazine Traditional Name: 1-[2-(6-bromoisochroman-1-yl)ethyl]-4-(4-butoxyphenyl)piperazine Formula: C25H33BrN2O2 MolecularWeight: 473.44572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)N2CCN(CC2)CCC3C4=C(CCO3)C=C(C=C4)Br

Isomeric SMILES

CCCCOC1=CC=C(C=C1)N2CCN(CC2)CCC3C4=C(CCO3)C=C(C=C4)Br

InChI

InChI=1S/C25H33BrN2O2/c1-2-3-17-29-23-7-5-22(6-8-23)28-15-13-27(14-16-28)12-10-25-24-9-4-21(26)19-20(24)11-18-30-25/h4-9,19,25H,2-3,10-18H2,1H3