2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(4-iodanyl-2-methyl-phenyl)ethanamide

Systemtic Name: 2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(4-iodanyl-2-methyl-phenyl)ethanamide Openeye Name: 2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(4-iodo-2-methyl-phenyl)acetamide CAS Name: 2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(4-iodo-2-methylphenyl)acetamide IUPAC Name: 2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(4-iodo-2-methylphenyl)acetamide Traditional Name: 2-[4-(4-cyanobenzyl)-1,4-diazepan-1-yl]-N-(4-iodo-2-methyl-phenyl)acetamide Formula: C22H25IN4O MolecularWeight: 488.36457

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC(=O)CN2CCCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC(=O)CN2CCCN(CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H25IN4O/c1-17-13-20(23)7-8-21(17)25-22(28)16-27-10-2-9-26(11-12-27)15-19-5-3-18(14-24)4-6-19/h3-8,13H,2,9-12,15-16H2,1H3,(H,25,28)