4-(phenylmethyl)-4H-isoquinoline-1,3-dione

Systemtic Name: 4-(phenylmethyl)-4H-isoquinoline-1,3-dione Openeye Name: 4-benzyl-4H-isoquinoline-1,3-dione CAS Name: 4-(phenylmethyl)-4H-isoquinoline-1,3-dione IUPAC Name: 4-benzyl-4H-isoquinoline-1,3-dione Traditional Name: 4-benzyl-4H-isoquinoline-1,3-quinone Formula: C16H13NO2 MolecularWeight: 251.27992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2C3=CC=CC=C3C(=O)NC2=O

Isomeric SMILES

C1=CC=C(C=C1)CC2C3=CC=CC=C3C(=O)NC2=O

InChI

InChI=1S/C16H13NO2/c18-15-13-9-5-4-8-12(13)14(16(19)17-15)10-11-6-2-1-3-7-11/h1-9,14H,10H2,(H,17,18,19)