4-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-N-(2-iodanylphenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-N-(2-iodanylphenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-[2-(2,6-dimethylanilino)-2-oxo-ethyl]-N-(2-iodophenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-(2-iodophenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-(2-iodophenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-[2-(2,6-dimethylanilino)-2-keto-ethyl]-N-(2-iodophenyl)-1,4-diazepane-1-carboxamide Formula: C22H27IN4O2 MolecularWeight: 506.37985

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CN2CCCN(CC2)C(=O)NC3=CC=CC=C3I

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN2CCCN(CC2)C(=O)NC3=CC=CC=C3I

InChI

InChI=1S/C22H27IN4O2/c1-16-7-5-8-17(2)21(16)25-20(28)15-26-11-6-12-27(14-13-26)22(29)24-19-10-4-3-9-18(19)23/h3-5,7-10H,6,11-15H2,1-2H3,(H,24,29)(H,25,28)