[2-[[4-[(3-iodanylphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]phenyl] ethanoate

Systemtic Name: [2-[[4-[(3-iodanylphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]phenyl] ethanoate Openeye Name: [2-[4-[(3-iodophenyl)methyl]-1,4-diazepane-1-carbonyl]phenyl] acetate CAS Name: acetic acid [2-[[4-[(3-iodophenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]phenyl] ester IUPAC Name: [2-[4-[(3-iodophenyl)methyl]-1,4-diazepane-1-carbonyl]phenyl] acetate Traditional Name: acetic acid [2-[4-(3-iodobenzyl)-1,4-diazepane-1-carbonyl]phenyl] ester Formula: C21H23IN2O3 MolecularWeight: 478.32339

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C(=O)N2CCCN(CC2)CC3=CC(=CC=C3)I

Isomeric SMILES

CC(=O)OC1=CC=CC=C1C(=O)N2CCCN(CC2)CC3=CC(=CC=C3)I

InChI

InChI=1S/C21H23IN2O3/c1-16(25)27-20-9-3-2-8-19(20)21(26)24-11-5-10-23(12-13-24)15-17-6-4-7-18(22)14-17/h2-4,6-9,14H,5,10-13,15H2,1H3