4-[(3-iodanylphenyl)methyl]-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[(3-iodanylphenyl)methyl]-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-[(3-iodophenyl)methyl]-N-(m-tolyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[(3-iodophenyl)methyl]-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-[(3-iodophenyl)methyl]-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(3-iodobenzyl)-N-(m-tolyl)-1,4-diazepane-1-carboxamide Formula: C20H24IN3O MolecularWeight: 449.32853

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)N2CCCN(CC2)CC3=CC(=CC=C3)I

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N2CCCN(CC2)CC3=CC(=CC=C3)I

InChI

InChI=1S/C20H24IN3O/c1-16-5-2-8-19(13-16)22-20(25)24-10-4-9-23(11-12-24)15-17-6-3-7-18(21)14-17/h2-3,5-8,13-14H,4,9-12,15H2,1H3,(H,22,25)