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

Systemtic Name: 2-[(3,3-dimethyl-1-oxidanylidene-2-phenyl-4H-isoquinolin-4-yl)methyl]isoindole-1,3-dione Openeye Name: 2-[(3,3-dimethyl-1-oxo-2-phenyl-4H-isoquinolin-4-yl)methyl]isoindoline-1,3-dione CAS Name: 2-[(3,3-dimethyl-1-oxo-2-phenyl-4H-isoquinolin-4-yl)methyl]isoindole-1,3-dione IUPAC Name: 2-[(3,3-dimethyl-1-oxo-2-phenyl-4H-isoquinolin-4-yl)methyl]isoindole-1,3-dione Traditional Name: 2-[(1-keto-3,3-dimethyl-2-phenyl-4H-isoquinolin-4-yl)methyl]isoindoline-1,3-quinone Formula: C26H22N2O3 MolecularWeight: 410.46448

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C2=CC=CC=C2C(=O)N1C3=CC=CC=C3)CN4C(=O)C5=CC=CC=C5C4=O)C

Isomeric SMILES

CC1(C(C2=CC=CC=C2C(=O)N1C3=CC=CC=C3)CN4C(=O)C5=CC=CC=C5C4=O)C

InChI

InChI=1S/C26H22N2O3/c1-26(2)22(16-27-23(29)20-14-8-9-15-21(20)24(27)30)18-12-6-7-13-19(18)25(31)28(26)17-10-4-3-5-11-17/h3-15,22H,16H2,1-2H3