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

Systemtic Name: N-(2-iodanylphenyl)-4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-1,4-diazepane-1-carboxamide Openeye Name: 4-[2-(benzylamino)-2-oxo-ethyl]-N-(2-iodophenyl)-1,4-diazepane-1-carboxamide CAS Name: N-(2-iodophenyl)-4-[2-oxo-2-[(phenylmethyl)amino]ethyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-[2-(benzylamino)-2-oxoethyl]-N-(2-iodophenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-[2-(benzylamino)-2-keto-ethyl]-N-(2-iodophenyl)-1,4-diazepane-1-carboxamide Formula: C21H25IN4O2 MolecularWeight: 492.35327

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NC2=CC=CC=C2I)CC(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)NC2=CC=CC=C2I)CC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H25IN4O2/c22-18-9-4-5-10-19(18)24-21(28)26-12-6-11-25(13-14-26)16-20(27)23-15-17-7-2-1-3-8-17/h1-5,7-10H,6,11-16H2,(H,23,27)(H,24,28)