N-(cyanomethyl)-4-methyl-2-(3-quinolin-6-ylphenyl)pentanamide

Systemtic Name: N-(cyanomethyl)-4-methyl-2-(3-quinolin-6-ylphenyl)pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-[3-(6-quinolyl)phenyl]pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[3-(6-quinolinyl)phenyl]pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-(3-quinolin-6-ylphenyl)pentanamide Traditional Name: N-(cyanomethyl)-4-methyl-2-[3-(6-quinolyl)phenyl]valeramide Formula: C23H23N3O MolecularWeight: 357.44822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC(=C1)C2=CC3=C(C=C2)N=CC=C3)C(=O)NCC#N

Isomeric SMILES

CC(C)CC(C1=CC=CC(=C1)C2=CC3=C(C=C2)N=CC=C3)C(=O)NCC#N

InChI

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