N-(cyanomethyl)-2-(3-isoquinolin-4-ylphenyl)-4-methyl-pentanamide

Systemtic Name: N-(cyanomethyl)-2-(3-isoquinolin-4-ylphenyl)-4-methyl-pentanamide Openeye Name: N-(cyanomethyl)-2-[3-(4-isoquinolyl)phenyl]-4-methyl-pentanamide CAS Name: N-(cyanomethyl)-2-[3-(4-isoquinolinyl)phenyl]-4-methylpentanamide IUPAC Name: N-(cyanomethyl)-2-(3-isoquinolin-4-ylphenyl)-4-methylpentanamide Traditional Name: N-(cyanomethyl)-2-[3-(4-isoquinolyl)phenyl]-4-methyl-valeramide Formula: C23H23N3O MolecularWeight: 357.44822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC(=C1)C2=CN=CC3=CC=CC=C32)C(=O)NCC#N

Isomeric SMILES

CC(C)CC(C1=CC=CC(=C1)C2=CN=CC3=CC=CC=C32)C(=O)NCC#N

InChI

InChI=1S/C23H23N3O/c1-16(2)12-21(23(27)26-11-10-24)17-7-5-8-18(13-17)22-15-25-14-19-6-3-4-9-20(19)22/h3-9,13-16,21H,11-12H2,1-2H3,(H,26,27)