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

Systemtic Name: 3-azanyl-N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-5-cyano-3-methyl-N-prop-2-ynyl-hexanamide hydrochloride Openeye Name: 3-amino-N-(2-benzoyl-4-chloro-phenyl)-5-cyano-3-methyl-N-prop-2-ynyl-hexanamide hydrochloride CAS Name: 3-amino-N-(2-benzoyl-4-chlorophenyl)-5-cyano-3-methyl-N-prop-2-ynylhexanamide hydrochloride IUPAC Name: 3-amino-N-(2-benzoyl-4-chlorophenyl)-5-cyano-3-methyl-N-prop-2-ynylhexanamide hydrochloride Traditional Name: 3-amino-N-(2-benzoyl-4-chloro-phenyl)-5-cyano-3-methyl-N-propargyl-hexanamide hydrochloride Formula: C24H25Cl2N3O2 MolecularWeight: 458.3802

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C24H24ClN3O2.ClH/c1-4-12-28(22(29)15-24(3,27)14-17(2)16-26)21-11-10-19(25)13-20(21)23(30)18-8-6-5-7-9-18;/h1,5-11,13,17H,12,14-15,27H2,2-3H3;1H