N-(2-iodanylphenyl)-4-[2-oxidanylidene-2-(phenethylamino)ethyl]-1,4-diazepane-1-carboxamide

Systemtic Name: N-(2-iodanylphenyl)-4-[2-oxidanylidene-2-(phenethylamino)ethyl]-1,4-diazepane-1-carboxamide Openeye Name: N-(2-iodophenyl)-4-[2-oxo-2-(phenethylamino)ethyl]-1,4-diazepane-1-carboxamide CAS Name: N-(2-iodophenyl)-4-[2-oxo-2-(phenethylamino)ethyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(2-iodophenyl)-4-[2-oxo-2-(phenethylamino)ethyl]-1,4-diazepane-1-carboxamide Traditional Name: N-(2-iodophenyl)-4-[2-keto-2-(phenethylamino)ethyl]-1,4-diazepane-1-carboxamide Formula: C22H27IN4O2 MolecularWeight: 506.37985

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NC2=CC=CC=C2I)CC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)NC2=CC=CC=C2I)CC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C22H27IN4O2/c23-19-9-4-5-10-20(19)25-22(29)27-14-6-13-26(15-16-27)17-21(28)24-12-11-18-7-2-1-3-8-18/h1-5,7-10H,6,11-17H2,(H,24,28)(H,25,29)