1-[4-[(3-iodanylphenyl)methyl]-1,4-diazepan-1-yl]-2,2-diphenyl-ethanone

Systemtic Name: 1-[4-[(3-iodanylphenyl)methyl]-1,4-diazepan-1-yl]-2,2-diphenyl-ethanone Openeye Name: 1-[4-[(3-iodophenyl)methyl]-1,4-diazepan-1-yl]-2,2-diphenyl-ethanone CAS Name: 1-[4-[(3-iodophenyl)methyl]-1,4-diazepan-1-yl]-2,2-diphenylethanone IUPAC Name: 1-[4-[(3-iodophenyl)methyl]-1,4-diazepan-1-yl]-2,2-diphenylethanone Traditional Name: 1-[4-(3-iodobenzyl)-1,4-diazepan-1-yl]-2,2-diphenyl-ethanone Formula: C26H27IN2O MolecularWeight: 510.40985

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)CC4=CC(=CC=C4)I

Isomeric SMILES

C1CN(CCN(C1)C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)CC4=CC(=CC=C4)I

InChI

InChI=1S/C26H27IN2O/c27-24-14-7-9-21(19-24)20-28-15-8-16-29(18-17-28)26(30)25(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-7,9-14,19,25H,8,15-18,20H2