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

Systemtic Name: 3-azanyl-N-(2-bromanylprop-2-enyl)-N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-5-cyano-4-methyl-pentanamide hydrochloride Openeye Name: 3-amino-N-(2-benzoyl-4-chloro-phenyl)-N-(2-bromoallyl)-5-cyano-4-methyl-pentanamide hydrochloride CAS Name: 3-amino-N-(2-benzoyl-4-chlorophenyl)-N-(2-bromoprop-2-enyl)-5-cyano-4-methylpentanamide hydrochloride IUPAC Name: 3-amino-N-(2-benzoyl-4-chlorophenyl)-N-(2-bromoprop-2-enyl)-5-cyano-4-methylpentanamide hydrochloride Traditional Name: 3-amino-N-(2-benzoyl-4-chloro-phenyl)-N-(2-bromoallyl)-5-cyano-4-methyl-valeramide hydrochloride Formula: C23H24BrCl2N3O2 MolecularWeight: 525.26556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23BrClN3O2.ClH/c1-15(10-11-26)20(27)13-22(29)28(14-16(2)24)21-9-8-18(25)12-19(21)23(30)17-6-4-3-5-7-17;/h3-9,12,15,20H,2,10,13-14,27H2,1H3;1H