2-[4-(5-chloranyl-2-iodanyl-phenyl)carbonyl-1,4-diazepan-1-yl]-N,N-dimethyl-ethanamide

Systemtic Name: 2-[4-(5-chloranyl-2-iodanyl-phenyl)carbonyl-1,4-diazepan-1-yl]-N,N-dimethyl-ethanamide Openeye Name: 2-[4-(5-chloro-2-iodo-benzoyl)-1,4-diazepan-1-yl]-N,N-dimethyl-acetamide CAS Name: 2-[4-[(5-chloro-2-iodophenyl)-oxomethyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide IUPAC Name: 2-[4-(5-chloro-2-iodobenzoyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide Traditional Name: 2-[4-(5-chloro-2-iodo-benzoyl)-1,4-diazepan-1-yl]-N,N-dimethyl-acetamide Formula: C16H21ClIN3O2 MolecularWeight: 449.71431

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CN1CCCN(CC1)C(=O)C2=C(C=CC(=C2)Cl)I

Isomeric SMILES

CN(C)C(=O)CN1CCCN(CC1)C(=O)C2=C(C=CC(=C2)Cl)I

InChI

InChI=1S/C16H21ClIN3O2/c1-19(2)15(22)11-20-6-3-7-21(9-8-20)16(23)13-10-12(17)4-5-14(13)18/h4-5,10H,3,6-9,11H2,1-2H3