1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-7-oxidanyl-isoquinolin-6-one hydrate

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-7-oxidanyl-isoquinolin-6-one hydrate Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-7-hydroxy-2-methyl-isoquinolin-6-one hydrate CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-7-hydroxy-2-methyl-6-isoquinolinone hydrate IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-7-hydroxy-2-methylisoquinolin-6-one hydrate Traditional Name: 7-hydroxy-2-methyl-1-veratryl-isoquinolin-6-one hydrate Formula: C19H21NO5 MolecularWeight: 343.37374

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC2=CC(=O)C(=CC2=C1CC3=CC(=C(C=C3)OC)OC)O.O

Isomeric SMILES

CN1C=CC2=CC(=O)C(=CC2=C1CC3=CC(=C(C=C3)OC)OC)O.O

InChI

InChI=1S/C19H19NO4.H2O/c1-20-7-6-13-10-16(21)17(22)11-14(13)15(20)8-12-4-5-18(23-2)19(9-12)24-3;/h4-7,9-11,22H,8H2,1-3H3;1H2