N-(2-iodanylphenyl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepane-1-carboxamide

Systemtic Name: N-(2-iodanylphenyl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepane-1-carboxamide Openeye Name: N-(2-iodophenyl)-4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepane-1-carboxamide CAS Name: N-(2-iodophenyl)-4-[(5-methyl-3-isoxazolyl)methyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(2-iodophenyl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepane-1-carboxamide Traditional Name: N-(2-iodophenyl)-4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepane-1-carboxamide Formula: C17H21IN4O2 MolecularWeight: 440.27871

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CN2CCCN(CC2)C(=O)NC3=CC=CC=C3I

Isomeric SMILES

CC1=CC(=NO1)CN2CCCN(CC2)C(=O)NC3=CC=CC=C3I

InChI

InChI=1S/C17H21IN4O2/c1-13-11-14(20-24-13)12-21-7-4-8-22(10-9-21)17(23)19-16-6-3-2-5-15(16)18/h2-3,5-6,11H,4,7-10,12H2,1H3,(H,19,23)