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

Systemtic Name: 3-azanyl-N-(2-bromanylprop-2-enyl)-N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-5-cyano-3-methyl-hexanamide hydrochloride Openeye Name: 3-amino-N-(2-benzoyl-4-chloro-phenyl)-N-(2-bromoallyl)-5-cyano-3-methyl-hexanamide hydrochloride CAS Name: 3-amino-N-(2-benzoyl-4-chlorophenyl)-N-(2-bromoprop-2-enyl)-5-cyano-3-methylhexanamide hydrochloride IUPAC Name: 3-amino-N-(2-benzoyl-4-chlorophenyl)-N-(2-bromoprop-2-enyl)-5-cyano-3-methylhexanamide hydrochloride Traditional Name: 3-amino-N-(2-benzoyl-4-chloro-phenyl)-N-(2-bromoallyl)-5-cyano-3-methyl-hexanamide hydrochloride Formula: C24H26BrCl2N3O2 MolecularWeight: 539.29214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25BrClN3O2.ClH/c1-16(14-27)12-24(3,28)13-22(30)29(15-17(2)25)21-10-9-19(26)11-20(21)23(31)18-7-5-4-6-8-18;/h4-11,16H,2,12-13,15,28H2,1,3H3;1H