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

Systemtic Name: 2-[4-(2-iodanyl-3-methyl-phenyl)carbonyl-1,4-diazepan-1-yl]-N-phenethyl-ethanamide Openeye Name: 2-[4-(2-iodo-3-methyl-benzoyl)-1,4-diazepan-1-yl]-N-phenethyl-acetamide CAS Name: 2-[4-[(2-iodo-3-methylphenyl)-oxomethyl]-1,4-diazepan-1-yl]-N-phenethylacetamide IUPAC Name: 2-[4-(2-iodo-3-methylbenzoyl)-1,4-diazepan-1-yl]-N-phenethylacetamide Traditional Name: 2-[4-(2-iodo-3-methyl-benzoyl)-1,4-diazepan-1-yl]-N-phenethyl-acetamide Formula: C23H28IN3O2 MolecularWeight: 505.39179

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1I)C(=O)N2CCCN(CC2)CC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1I)C(=O)N2CCCN(CC2)CC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C23H28IN3O2/c1-18-7-5-10-20(22(18)24)23(29)27-14-6-13-26(15-16-27)17-21(28)25-12-11-19-8-3-2-4-9-19/h2-5,7-10H,6,11-17H2,1H3,(H,25,28)