6-chloranyl-3-(hydroxymethyl)-2-methyl-4-phenylmethoxy-isoquinolin-1-one

Systemtic Name: 6-chloranyl-3-(hydroxymethyl)-2-methyl-4-phenylmethoxy-isoquinolin-1-one Openeye Name: 4-benzyloxy-6-chloro-3-(hydroxymethyl)-2-methyl-isoquinolin-1-one CAS Name: 6-chloro-3-(hydroxymethyl)-2-methyl-4-phenylmethoxy-1-isoquinolinone IUPAC Name: 6-chloro-3-(hydroxymethyl)-2-methyl-4-phenylmethoxyisoquinolin-1-one Traditional Name: 4-benzoxy-6-chloro-2-methyl-3-methylol-isocarbostyril Formula: C18H16ClNO3 MolecularWeight: 329.77754

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=C(C1=O)C=CC(=C2)Cl)OCC3=CC=CC=C3)CO

Isomeric SMILES

CN1C(=C(C2=C(C1=O)C=CC(=C2)Cl)OCC3=CC=CC=C3)CO

InChI

InChI=1S/C18H16ClNO3/c1-20-16(10-21)17(23-11-12-5-3-2-4-6-12)15-9-13(19)7-8-14(15)18(20)22/h2-9,21H,10-11H2,1H3