3-[2-(hydroxymethyl)-4-methoxy-phenyl]-7-methyl-2H-isoquinolin-1-one

Systemtic Name: 3-[2-(hydroxymethyl)-4-methoxy-phenyl]-7-methyl-2H-isoquinolin-1-one Openeye Name: 3-[2-(hydroxymethyl)-4-methoxy-phenyl]-7-methyl-2H-isoquinolin-1-one CAS Name: 3-[2-(hydroxymethyl)-4-methoxyphenyl]-7-methyl-2H-isoquinolin-1-one IUPAC Name: 3-[2-(hydroxymethyl)-4-methoxyphenyl]-7-methyl-2H-isoquinolin-1-one Traditional Name: 3-(4-methoxy-2-methylol-phenyl)-7-methyl-isocarbostyril Formula: C18H17NO3 MolecularWeight: 295.33248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(NC2=O)C3=C(C=C(C=C3)OC)CO

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(NC2=O)C3=C(C=C(C=C3)OC)CO

InChI

InChI=1S/C18H17NO3/c1-11-3-4-12-9-17(19-18(21)16(12)7-11)15-6-5-14(22-2)8-13(15)10-20/h3-9,20H,10H2,1-2H3,(H,19,21)