4-[(5-chloranyl-2-oxidanyl-phenyl)methyl]-7-methoxy-2H-isoquinolin-8-one hydrochloride

Systemtic Name: 4-[(5-chloranyl-2-oxidanyl-phenyl)methyl]-7-methoxy-2H-isoquinolin-8-one hydrochloride Openeye Name: 4-[(5-chloro-2-hydroxy-phenyl)methyl]-7-methoxy-2H-isoquinolin-8-one hydrochloride CAS Name: 4-[(5-chloro-2-hydroxyphenyl)methyl]-7-methoxy-2H-isoquinolin-8-one hydrochloride IUPAC Name: 4-[(5-chloro-2-hydroxyphenyl)methyl]-7-methoxy-2H-isoquinolin-8-one hydrochloride Traditional Name: 4-(5-chloro-2-hydroxy-benzyl)-7-methoxy-2H-isoquinolin-8-one hydrochloride Formula: C17H15Cl2NO3 MolecularWeight: 352.2119

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C2C(=CNC=C2C1=O)CC3=C(C=CC(=C3)Cl)O.Cl

Isomeric SMILES

COC1=CC=C2C(=CNC=C2C1=O)CC3=C(C=CC(=C3)Cl)O.Cl

InChI

InChI=1S/C17H14ClNO3.ClH/c1-22-16-5-3-13-11(8-19-9-14(13)17(16)21)6-10-7-12(18)2-4-15(10)20;/h2-5,7-9,19-20H,6H2,1H3;1H