N-(cyanomethyl)-4-methyl-2-[3-(2-methylquinolin-6-yl)phenyl]pentanamide

Systemtic Name: N-(cyanomethyl)-4-methyl-2-[3-(2-methylquinolin-6-yl)phenyl]pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-[3-(2-methyl-6-quinolyl)phenyl]pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[3-(2-methyl-6-quinolinyl)phenyl]pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-[3-(2-methylquinolin-6-yl)phenyl]pentanamide Traditional Name: N-(cyanomethyl)-4-methyl-2-[3-(2-methyl-6-quinolyl)phenyl]valeramide Formula: C24H25N3O MolecularWeight: 371.4748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C=C(C=C2)C3=CC(=CC=C3)C(CC(C)C)C(=O)NCC#N

Isomeric SMILES

CC1=NC2=C(C=C1)C=C(C=C2)C3=CC(=CC=C3)C(CC(C)C)C(=O)NCC#N

InChI

InChI=1S/C24H25N3O/c1-16(2)13-22(24(28)26-12-11-25)20-6-4-5-18(14-20)19-9-10-23-21(15-19)8-7-17(3)27-23/h4-10,14-16,22H,12-13H2,1-3H3,(H,26,28)