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

Systemtic Name: 4-[(4-acetamidophenyl)methyl]-N-(2-iodanylphenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-[(4-acetamidophenyl)methyl]-N-(2-iodophenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[(4-acetamidophenyl)methyl]-N-(2-iodophenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-[(4-acetamidophenyl)methyl]-N-(2-iodophenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(4-acetamidobenzyl)-N-(2-iodophenyl)-1,4-diazepane-1-carboxamide Formula: C21H25IN4O2 MolecularWeight: 492.35327

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)NC3=CC=CC=C3I

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)NC3=CC=CC=C3I

InChI

InChI=1S/C21H25IN4O2/c1-16(27)23-18-9-7-17(8-10-18)15-25-11-4-12-26(14-13-25)21(28)24-20-6-3-2-5-19(20)22/h2-3,5-10H,4,11-15H2,1H3,(H,23,27)(H,24,28)