2-[4-(2-iodanyl-3-methyl-phenyl)carbonyl-1,4-diazepan-1-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[4-(2-iodanyl-3-methyl-phenyl)carbonyl-1,4-diazepan-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-(2-iodo-3-methyl-benzoyl)-1,4-diazepan-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[(2-iodo-3-methylphenyl)-oxomethyl]-1,4-diazepan-1-yl]-N-phenylacetamide IUPAC Name: 2-[4-(2-iodo-3-methylbenzoyl)-1,4-diazepan-1-yl]-N-phenylacetamide Traditional Name: 2-[4-(2-iodo-3-methyl-benzoyl)-1,4-diazepan-1-yl]-N-phenyl-acetamide Formula: C21H24IN3O2 MolecularWeight: 477.33863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1I)C(=O)N2CCCN(CC2)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1I)C(=O)N2CCCN(CC2)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H24IN3O2/c1-16-7-5-10-18(20(16)22)21(27)25-12-6-11-24(13-14-25)15-19(26)23-17-8-3-2-4-9-17/h2-5,7-10H,6,11-15H2,1H3,(H,23,26)