6-chloranyl-4-ethanoyl-1-oxidanyl-2-(phenylmethyl)isoquinolin-3-one

Systemtic Name: 6-chloranyl-4-ethanoyl-1-oxidanyl-2-(phenylmethyl)isoquinolin-3-one Openeye Name: 4-acetyl-2-benzyl-6-chloro-1-hydroxy-isoquinolin-3-one CAS Name: 4-acetyl-6-chloro-1-hydroxy-2-(phenylmethyl)-3-isoquinolinone IUPAC Name: 4-acetyl-2-benzyl-6-chloro-1-hydroxyisoquinolin-3-one Traditional Name: 4-acetyl-2-benzyl-6-chloro-1-hydroxy-3-isoquinolone Formula: C18H14ClNO3 MolecularWeight: 327.76166

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C2C=C(C=CC2=C(N(C1=O)CC3=CC=CC=C3)O)Cl

Isomeric SMILES

CC(=O)C1=C2C=C(C=CC2=C(N(C1=O)CC3=CC=CC=C3)O)Cl

InChI

InChI=1S/C18H14ClNO3/c1-11(21)16-15-9-13(19)7-8-14(15)17(22)20(18(16)23)10-12-5-3-2-4-6-12/h2-9,22H,10H2,1H3