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

Systemtic Name: 2-[(2-ethyl-3,3-dimethyl-1-oxidanylidene-4H-isoquinolin-4-yl)methyl]isoindole-1,3-dione Openeye Name: 2-[(2-ethyl-3,3-dimethyl-1-oxo-4H-isoquinolin-4-yl)methyl]isoindoline-1,3-dione CAS Name: 2-[(2-ethyl-3,3-dimethyl-1-oxo-4H-isoquinolin-4-yl)methyl]isoindole-1,3-dione IUPAC Name: 2-[(2-ethyl-3,3-dimethyl-1-oxo-4H-isoquinolin-4-yl)methyl]isoindole-1,3-dione Traditional Name: 2-[(2-ethyl-1-keto-3,3-dimethyl-4H-isoquinolin-4-yl)methyl]isoindoline-1,3-quinone Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(C1(C)C)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(C1(C)C)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H22N2O3/c1-4-24-21(27)15-10-6-5-9-14(15)18(22(24,2)3)13-23-19(25)16-11-7-8-12-17(16)20(23)26/h5-12,18H,4,13H2,1-3H3