4-ethanoyl-N-(4-iodophenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-ethanoyl-N-(4-iodophenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-acetyl-N-(4-iodophenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-acetyl-N-(4-iodophenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-acetyl-N-(4-iodophenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-acetyl-N-(4-iodophenyl)-1,4-diazepane-1-carboxamide Formula: C14H18IN3O2 MolecularWeight: 387.21609

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)C(=O)NC2=CC=C(C=C2)I

Isomeric SMILES

CC(=O)N1CCCN(CC1)C(=O)NC2=CC=C(C=C2)I

InChI

InChI=1S/C14H18IN3O2/c1-11(19)17-7-2-8-18(10-9-17)14(20)16-13-5-3-12(15)4-6-13/h3-6H,2,7-10H2,1H3,(H,16,20)