3-azanyl-N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-N,N',3-trimethyl-hexanediamide hydrochloride

Systemtic Name: 3-azanyl-N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-N,N',3-trimethyl-hexanediamide hydrochloride Openeye Name: 3-amino-N-(2-benzoyl-4-chloro-phenyl)-N,N',3-trimethyl-hexanediamide hydrochloride CAS Name: 3-amino-N-(2-benzoyl-4-chlorophenyl)-N,N',3-trimethylhexanediamide hydrochloride IUPAC Name: 3-amino-N-(2-benzoyl-4-chlorophenyl)-N,N',3-trimethylhexanediamide hydrochloride Traditional Name: 3-amino-N-(2-benzoyl-4-chloro-phenyl)-N,N',3-trimethyl-adipamide hydrochloride Formula: C22H27Cl2N3O3 MolecularWeight: 452.37408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN3O3.ClH/c1-22(24,12-11-19(27)25-2)14-20(28)26(3)18-10-9-16(23)13-17(18)21(29)15-7-5-4-6-8-15;/h4-10,13H,11-12,14,24H2,1-3H3,(H,25,27);1H