7-methoxy-4-[(4-methoxy-3-oxidanyl-phenyl)methyl]-2H-isoquinolin-8-one hydrochloride

Systemtic Name: 7-methoxy-4-[(4-methoxy-3-oxidanyl-phenyl)methyl]-2H-isoquinolin-8-one hydrochloride Openeye Name: 4-[(3-hydroxy-4-methoxy-phenyl)methyl]-7-methoxy-2H-isoquinolin-8-one hydrochloride CAS Name: 4-[(3-hydroxy-4-methoxyphenyl)methyl]-7-methoxy-2H-isoquinolin-8-one hydrochloride IUPAC Name: 4-[(3-hydroxy-4-methoxyphenyl)methyl]-7-methoxy-2H-isoquinolin-8-one hydrochloride Traditional Name: 4-(3-hydroxy-4-methoxy-benzyl)-7-methoxy-2H-isoquinolin-8-one hydrochloride Formula: C18H18ClNO4 MolecularWeight: 347.79282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=CNC=C3C2=CC=C(C3=O)OC)O.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=CNC=C3C2=CC=C(C3=O)OC)O.Cl

InChI

InChI=1S/C18H17NO4.ClH/c1-22-16-5-3-11(8-15(16)20)7-12-9-19-10-14-13(12)4-6-17(23-2)18(14)21;/h3-6,8-10,19-20H,7H2,1-2H3;1H