3-[4-[3-[2-(3,4-dimethoxyphenyl)ethyl-ethyl-amino]-2-oxidanyl-propoxy]phenyl]-7-methoxy-2-methyl-isoquinolin-1-one

Systemtic Name: 3-[4-[3-[2-(3,4-dimethoxyphenyl)ethyl-ethyl-amino]-2-oxidanyl-propoxy]phenyl]-7-methoxy-2-methyl-isoquinolin-1-one Openeye Name: 3-[4-[3-[2-(3,4-dimethoxyphenyl)ethyl-ethyl-amino]-2-hydroxy-propoxy]phenyl]-7-methoxy-2-methyl-isoquinolin-1-one CAS Name: 3-[4-[3-[2-(3,4-dimethoxyphenyl)ethyl-ethylamino]-2-hydroxypropoxy]phenyl]-7-methoxy-2-methyl-1-isoquinolinone IUPAC Name: 3-[4-[3-[2-(3,4-dimethoxyphenyl)ethyl-ethylamino]-2-hydroxypropoxy]phenyl]-7-methoxy-2-methylisoquinolin-1-one Traditional Name: 3-[4-[3-[ethyl(homoveratryl)amino]-2-hydroxy-propoxy]phenyl]-7-methoxy-2-methyl-isocarbostyril Formula: C32H38N2O6 MolecularWeight: 546.65392

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC1=CC(=C(C=C1)OC)OC)CC(COC2=CC=C(C=C2)C3=CC4=C(C=C(C=C4)OC)C(=O)N3C)O

Isomeric SMILES

CCN(CCC1=CC(=C(C=C1)OC)OC)CC(COC2=CC=C(C=C2)C3=CC4=C(C=C(C=C4)OC)C(=O)N3C)O

InChI

InChI=1S/C32H38N2O6/c1-6-34(16-15-22-7-14-30(38-4)31(17-22)39-5)20-25(35)21-40-26-11-8-23(9-12-26)29-18-24-10-13-27(37-3)19-28(24)32(36)33(29)2/h7-14,17-19,25,35H,6,15-16,20-21H2,1-5H3