3-azanyl-N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-5-cyano-3-methyl-pentanamide hydrochloride

Systemtic Name: 3-azanyl-N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-5-cyano-3-methyl-pentanamide hydrochloride Openeye Name: 3-amino-N-(2-benzoyl-4-chloro-phenyl)-5-cyano-3-methyl-pentanamide hydrochloride CAS Name: 3-amino-N-(2-benzoyl-4-chlorophenyl)-5-cyano-3-methylpentanamide hydrochloride IUPAC Name: 3-amino-N-(2-benzoyl-4-chlorophenyl)-5-cyano-3-methylpentanamide hydrochloride Traditional Name: 3-amino-N-(2-benzoyl-4-chloro-phenyl)-5-cyano-3-methyl-valeramide hydrochloride Formula: C20H21Cl2N3O2 MolecularWeight: 406.30564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O2.ClH/c1-20(23,10-5-11-22)13-18(25)24-17-9-8-15(21)12-16(17)19(26)14-6-3-2-4-7-14;/h2-4,6-9,12H,5,10,13,23H2,1H3,(H,24,25);1H