4,4-dimethyl-1-(2-oxidanylidenepropyl)-1-phenyl-2H-isoquinolin-3-one

Systemtic Name: 4,4-dimethyl-1-(2-oxidanylidenepropyl)-1-phenyl-2H-isoquinolin-3-one Openeye Name: 1-acetonyl-4,4-dimethyl-1-phenyl-2H-isoquinolin-3-one CAS Name: 4,4-dimethyl-1-(2-oxopropyl)-1-phenyl-2H-isoquinolin-3-one IUPAC Name: 4,4-dimethyl-1-(2-oxopropyl)-1-phenyl-2H-isoquinolin-3-one Traditional Name: 1-acetonyl-4,4-dimethyl-1-phenyl-3-isoquinolone Formula: C20H21NO2 MolecularWeight: 307.38624

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1(C2=CC=CC=C2C(C(=O)N1)(C)C)C3=CC=CC=C3

Isomeric SMILES

CC(=O)CC1(C2=CC=CC=C2C(C(=O)N1)(C)C)C3=CC=CC=C3

InChI

InChI=1S/C20H21NO2/c1-14(22)13-20(15-9-5-4-6-10-15)17-12-8-7-11-16(17)19(2,3)18(23)21-20/h4-12H,13H2,1-3H3,(H,21,23)