3-tert-butyl-6-methoxy-4-phenyl-2H-isoquinolin-1-one

Systemtic Name: 3-tert-butyl-6-methoxy-4-phenyl-2H-isoquinolin-1-one Openeye Name: 3-tert-butyl-6-methoxy-4-phenyl-2H-isoquinolin-1-one CAS Name: 3-tert-butyl-6-methoxy-4-phenyl-2H-isoquinolin-1-one IUPAC Name: 3-tert-butyl-6-methoxy-4-phenyl-2H-isoquinolin-1-one Traditional Name: 3-tert-butyl-6-methoxy-4-phenyl-isocarbostyril Formula: C20H21NO2 MolecularWeight: 307.38624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C2=C(C=CC(=C2)OC)C(=O)N1)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=C(C2=C(C=CC(=C2)OC)C(=O)N1)C3=CC=CC=C3

InChI

InChI=1S/C20H21NO2/c1-20(2,3)18-17(13-8-6-5-7-9-13)16-12-14(23-4)10-11-15(16)19(22)21-18/h5-12H,1-4H3,(H,21,22)