2-[[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-ethyl-amino]-N-(5-chloranyl-2-methyl-phenyl)ethanamide

Systemtic Name: 2-[[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-ethyl-amino]-N-(5-chloranyl-2-methyl-phenyl)ethanamide Openeye Name: 2-[[2-(azepan-1-yl)-2-oxo-ethyl]-ethyl-amino]-N-(5-chloro-2-methyl-phenyl)acetamide CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]-ethylamino]-N-(5-chloro-2-methylphenyl)acetamide IUPAC Name: 2-[[2-(azepan-1-yl)-2-oxoethyl]-ethylamino]-N-(5-chloro-2-methylphenyl)acetamide Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]-ethyl-amino]-N-(5-chloro-2-methyl-phenyl)acetamide Formula: C19H28ClN3O2 MolecularWeight: 365.89752

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC1=C(C=CC(=C1)Cl)C)CC(=O)N2CCCCCC2

Isomeric SMILES

CCN(CC(=O)NC1=C(C=CC(=C1)Cl)C)CC(=O)N2CCCCCC2

InChI

InChI=1S/C19H28ClN3O2/c1-3-22(14-19(25)23-10-6-4-5-7-11-23)13-18(24)21-17-12-16(20)9-8-15(17)2/h8-9,12H,3-7,10-11,13-14H2,1-2H3,(H,21,24)