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

Systemtic Name: 2-[4-(2-iodanyl-3-methyl-phenyl)carbonyl-1,4-diazepan-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-(2-iodo-3-methyl-benzoyl)-1,4-diazepan-1-yl]acetamide CAS Name: 2-[4-[(2-iodo-3-methylphenyl)-oxomethyl]-1,4-diazepan-1-yl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-(2-iodo-3-methylbenzoyl)-1,4-diazepan-1-yl]acetamide Traditional Name: N-benzyl-2-[4-(2-iodo-3-methyl-benzoyl)-1,4-diazepan-1-yl]acetamide Formula: C22H26IN3O2 MolecularWeight: 491.36521

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1I)C(=O)N2CCCN(CC2)CC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1I)C(=O)N2CCCN(CC2)CC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H26IN3O2/c1-17-7-5-10-19(21(17)23)22(28)26-12-6-11-25(13-14-26)16-20(27)24-15-18-8-3-2-4-9-18/h2-5,7-10H,6,11-16H2,1H3,(H,24,27)