(5-chloranyl-2-iodanyl-phenyl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: (5-chloranyl-2-iodanyl-phenyl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (5-chloro-2-iodo-phenyl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone CAS Name: (5-chloro-2-iodophenyl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (5-chloro-2-iodophenyl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: (5-chloro-2-iodo-phenyl)-(4-p-anisyl-1,4-diazepan-1-yl)methanone Formula: C20H22ClIN2O2 MolecularWeight: 484.75835

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=C(C=CC(=C3)Cl)I

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=C(C=CC(=C3)Cl)I

InChI

InChI=1S/C20H22ClIN2O2/c1-26-17-6-3-15(4-7-17)14-23-9-2-10-24(12-11-23)20(25)18-13-16(21)5-8-19(18)22/h3-8,13H,2,9-12,14H2,1H3