N-[4-cyano-2-(phenylcarbonyl)phenyl]-2-(cyclohexylamino)-N-methyl-ethanamide hydrochloride

Systemtic Name: N-[4-cyano-2-(phenylcarbonyl)phenyl]-2-(cyclohexylamino)-N-methyl-ethanamide hydrochloride Openeye Name: N-(2-benzoyl-4-cyano-phenyl)-2-(cyclohexylamino)-N-methyl-acetamide hydrochloride CAS Name: N-(2-benzoyl-4-cyanophenyl)-2-(cyclohexylamino)-N-methylacetamide hydrochloride IUPAC Name: N-(2-benzoyl-4-cyanophenyl)-2-(cyclohexylamino)-N-methylacetamide hydrochloride Traditional Name: N-(2-benzoyl-4-cyano-phenyl)-2-(cyclohexylamino)-N-methyl-acetamide hydrochloride Formula: C23H26ClN3O2 MolecularWeight: 411.92444

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=C(C=C(C=C1)C#N)C(=O)C2=CC=CC=C2)C(=O)CNC3CCCCC3.Cl

Isomeric SMILES

CN(C1=C(C=C(C=C1)C#N)C(=O)C2=CC=CC=C2)C(=O)CNC3CCCCC3.Cl

InChI

InChI=1S/C23H25N3O2.ClH/c1-26(22(27)16-25-19-10-6-3-7-11-19)21-13-12-17(15-24)14-20(21)23(28)18-8-4-2-5-9-18;/h2,4-5,8-9,12-14,19,25H,3,6-7,10-11,16H2,1H3;1H