N-(2-iodanylphenyl)-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane-1-carboxamide

Systemtic Name: N-(2-iodanylphenyl)-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane-1-carboxamide Openeye Name: N-(2-iodophenyl)-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane-1-carboxamide CAS Name: N-(2-iodophenyl)-4-[(1-methyl-2-imidazolyl)methyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(2-iodophenyl)-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane-1-carboxamide Traditional Name: N-(2-iodophenyl)-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane-1-carboxamide Formula: C17H22IN5O MolecularWeight: 439.29395

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1CN2CCCN(CC2)C(=O)NC3=CC=CC=C3I

Isomeric SMILES

CN1C=CN=C1CN2CCCN(CC2)C(=O)NC3=CC=CC=C3I

InChI

InChI=1S/C17H22IN5O/c1-21-10-7-19-16(21)13-22-8-4-9-23(12-11-22)17(24)20-15-6-3-2-5-14(15)18/h2-3,5-7,10H,4,8-9,11-13H2,1H3,(H,20,24)