2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-7-methoxy-1-[4-(pyrrolidin-1-ylmethyl)phenyl]-3,4-dihydro-1H-isoquinolin-6-ol

Systemtic Name: 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-7-methoxy-1-[4-(pyrrolidin-1-ylmethyl)phenyl]-3,4-dihydro-1H-isoquinolin-6-ol Openeye Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-7-methoxy-1-[4-(pyrrolidin-1-ylmethyl)phenyl]-3,4-dihydro-1H-isoquinolin-6-ol CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-7-methoxy-1-[4-(1-pyrrolidinylmethyl)phenyl]-3,4-dihydro-1H-isoquinolin-6-ol IUPAC Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-7-methoxy-1-[4-(pyrrolidin-1-ylmethyl)phenyl]-3,4-dihydro-1H-isoquinolin-6-ol Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-7-methoxy-1-[4-(pyrrolidinomethyl)phenyl]-3,4-dihydro-1H-isoquinolin-6-ol Formula: C29H31BrN2O4 MolecularWeight: 551.47144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CCN(C(C2=C1)C3=CC=C(C=C3)CN4CCCC4)CC5=CC6=C(C=C5Br)OCO6)O

Isomeric SMILES

COC1=C(C=C2CCN(C(C2=C1)C3=CC=C(C=C3)CN4CCCC4)CC5=CC6=C(C=C5Br)OCO6)O

InChI

InChI=1S/C29H31BrN2O4/c1-34-26-14-23-21(12-25(26)33)8-11-32(17-22-13-27-28(15-24(22)30)36-18-35-27)29(23)20-6-4-19(5-7-20)16-31-9-2-3-10-31/h4-7,12-15,29,33H,2-3,8-11,16-18H2,1H3