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

Systemtic Name: 3-tert-butyl-6-methyl-4-phenyl-2H-isoquinolin-1-one Openeye Name: 3-tert-butyl-6-methyl-4-phenyl-2H-isoquinolin-1-one CAS Name: 3-tert-butyl-6-methyl-4-phenyl-2H-isoquinolin-1-one IUPAC Name: 3-tert-butyl-6-methyl-4-phenyl-2H-isoquinolin-1-one Traditional Name: 3-tert-butyl-6-methyl-4-phenyl-isocarbostyril Formula: C20H21NO MolecularWeight: 291.38684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)NC(=C2C3=CC=CC=C3)C(C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)NC(=C2C3=CC=CC=C3)C(C)(C)C

InChI

InChI=1S/C20H21NO/c1-13-10-11-15-16(12-13)17(14-8-6-5-7-9-14)18(20(2,3)4)21-19(15)22/h5-12H,1-4H3,(H,21,22)