(2R)-2-cyano-2-(3,3-dimethyl-4H-isoquinolin-1-yl)-N-(2-methylphenyl)ethanamide

Systemtic Name: (2R)-2-cyano-2-(3,3-dimethyl-4H-isoquinolin-1-yl)-N-(2-methylphenyl)ethanamide Openeye Name: (2R)-2-cyano-2-(3,3-dimethyl-4H-isoquinolin-1-yl)-N-(o-tolyl)acetamide CAS Name: (2R)-2-cyano-2-(3,3-dimethyl-4H-isoquinolin-1-yl)-N-(2-methylphenyl)acetamide IUPAC Name: (2R)-2-cyano-2-(3,3-dimethyl-4H-isoquinolin-1-yl)-N-(2-methylphenyl)acetamide Traditional Name: (2R)-2-cyano-2-(3,3-dimethyl-4H-isoquinolin-1-yl)-N-(o-tolyl)acetamide Formula: C21H21N3O MolecularWeight: 331.41094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(C#N)C2=NC(CC3=CC=CC=C32)(C)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)[C@@H](C#N)C2=NC(CC3=CC=CC=C32)(C)C

InChI

InChI=1S/C21H21N3O/c1-14-8-4-7-11-18(14)23-20(25)17(13-22)19-16-10-6-5-9-15(16)12-21(2,3)24-19/h4-11,17H,12H2,1-3H3,(H,23,25)/t17-/m0/s1