3-azanyl-N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-4-cyano-3-methyl-butanamide hydrochloride

Systemtic Name: 3-azanyl-N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-4-cyano-3-methyl-butanamide hydrochloride Openeye Name: 3-amino-N-(2-benzoyl-4-chloro-phenyl)-4-cyano-3-methyl-butanamide hydrochloride CAS Name: 3-amino-N-(2-benzoyl-4-chlorophenyl)-4-cyano-3-methylbutanamide hydrochloride IUPAC Name: 3-amino-N-(2-benzoyl-4-chlorophenyl)-4-cyano-3-methylbutanamide hydrochloride Traditional Name: 3-amino-N-(2-benzoyl-4-chloro-phenyl)-4-cyano-3-methyl-butyramide hydrochloride Formula: C19H19Cl2N3O2 MolecularWeight: 392.27906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC#N)(CC(=O)NC1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2)N.Cl

Isomeric SMILES

CC(CC#N)(CC(=O)NC1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2)N.Cl

InChI

InChI=1S/C19H18ClN3O2.ClH/c1-19(22,9-10-21)12-17(24)23-16-8-7-14(20)11-15(16)18(25)13-5-3-2-4-6-13;/h2-8,11H,9,12,22H2,1H3,(H,23,24);1H