N-[4-(cyanomethyl)phenyl]-2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanamide Openeye Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[4-(cyanomethyl)phenyl]acetamide CAS Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[4-(cyanomethyl)phenyl]acetamide IUPAC Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[4-(cyanomethyl)phenyl]acetamide Traditional Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[4-(cyanomethyl)phenyl]acetamide Formula: C21H19N3O2 MolecularWeight: 345.39446

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C21H19N3O2/c1-15(25)24-13-11-17-4-2-3-5-19(17)20(24)14-21(26)23-18-8-6-16(7-9-18)10-12-22/h2-9,11,13,20H,10,14H2,1H3,(H,23,26)