N-(2,6-diethylphenyl)-2-[4-(2-iodanyl-3-methyl-phenyl)carbonyl-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-(2,6-diethylphenyl)-2-[4-(2-iodanyl-3-methyl-phenyl)carbonyl-1,4-diazepan-1-yl]ethanamide Openeye Name: N-(2,6-diethylphenyl)-2-[4-(2-iodo-3-methyl-benzoyl)-1,4-diazepan-1-yl]acetamide CAS Name: N-(2,6-diethylphenyl)-2-[4-[(2-iodo-3-methylphenyl)-oxomethyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(2,6-diethylphenyl)-2-[4-(2-iodo-3-methylbenzoyl)-1,4-diazepan-1-yl]acetamide Traditional Name: N-(2,6-diethylphenyl)-2-[4-(2-iodo-3-methyl-benzoyl)-1,4-diazepan-1-yl]acetamide Formula: C25H32IN3O2 MolecularWeight: 533.44495

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CN2CCCN(CC2)C(=O)C3=C(C(=CC=C3)C)I

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CN2CCCN(CC2)C(=O)C3=C(C(=CC=C3)C)I

InChI

InChI=1S/C25H32IN3O2/c1-4-19-10-7-11-20(5-2)24(19)27-22(30)17-28-13-8-14-29(16-15-28)25(31)21-12-6-9-18(3)23(21)26/h6-7,9-12H,4-5,8,13-17H2,1-3H3,(H,27,30)