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

Systemtic Name: 2-cyano-2-(3,3-dimethyl-4H-isoquinolin-1-yl)-N-(3-nitrophenyl)ethanamide Openeye Name: 2-cyano-2-(3,3-dimethyl-4H-isoquinolin-1-yl)-N-(3-nitrophenyl)acetamide CAS Name: 2-cyano-2-(3,3-dimethyl-4H-isoquinolin-1-yl)-N-(3-nitrophenyl)acetamide IUPAC Name: 2-cyano-2-(3,3-dimethyl-4H-isoquinolin-1-yl)-N-(3-nitrophenyl)acetamide Traditional Name: 2-cyano-2-(3,3-dimethyl-4H-isoquinolin-1-yl)-N-(3-nitrophenyl)acetamide Formula: C20H18N4O3 MolecularWeight: 362.38192

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=N1)C(C#N)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1(CC2=CC=CC=C2C(=N1)C(C#N)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H18N4O3/c1-20(2)11-13-6-3-4-9-16(13)18(23-20)17(12-21)19(25)22-14-7-5-8-15(10-14)24(26)27/h3-10,17H,11H2,1-2H3,(H,22,25)