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

Systemtic Name: 3-(2,2-dimethylbutyl)-4-phenyl-2H-isoquinolin-1-one Openeye Name: 3-(2,2-dimethylbutyl)-4-phenyl-2H-isoquinolin-1-one CAS Name: 3-(2,2-dimethylbutyl)-4-phenyl-2H-isoquinolin-1-one IUPAC Name: 3-(2,2-dimethylbutyl)-4-phenyl-2H-isoquinolin-1-one Traditional Name: 3-(2,2-dimethylbutyl)-4-phenyl-isocarbostyril Formula: C21H23NO MolecularWeight: 305.41342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO/c1-4-21(2,3)14-18-19(15-10-6-5-7-11-15)16-12-8-9-13-17(16)20(23)22-18/h5-13H,4,14H2,1-3H3,(H,22,23)