2-[(3,3-dimethyl-4H-isoquinolin-1-yl)methyl]isoindole-1,3-dione

Systemtic Name: 2-[(3,3-dimethyl-4H-isoquinolin-1-yl)methyl]isoindole-1,3-dione Openeye Name: 2-[(3,3-dimethyl-4H-isoquinolin-1-yl)methyl]isoindoline-1,3-dione CAS Name: 2-[(3,3-dimethyl-4H-isoquinolin-1-yl)methyl]isoindole-1,3-dione IUPAC Name: 2-[(3,3-dimethyl-4H-isoquinolin-1-yl)methyl]isoindole-1,3-dione Traditional Name: 2-[(3,3-dimethyl-4H-isoquinolin-1-yl)methyl]isoindoline-1,3-quinone Formula: C20H18N2O2 MolecularWeight: 318.36912

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=N1)CN3C(=O)C4=CC=CC=C4C3=O)C

Isomeric SMILES

CC1(CC2=CC=CC=C2C(=N1)CN3C(=O)C4=CC=CC=C4C3=O)C

InChI

InChI=1S/C20H18N2O2/c1-20(2)11-13-7-3-4-8-14(13)17(21-20)12-22-18(23)15-9-5-6-10-16(15)19(22)24/h3-10H,11-12H2,1-2H3