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

Systemtic Name: 1-[4-[(3-iodanylphenyl)methyl]-1,4-diazepan-1-yl]-2-thiophen-2-yl-ethanone Openeye Name: 1-[4-[(3-iodophenyl)methyl]-1,4-diazepan-1-yl]-2-(2-thienyl)ethanone CAS Name: 1-[4-[(3-iodophenyl)methyl]-1,4-diazepan-1-yl]-2-thiophen-2-ylethanone IUPAC Name: 1-[4-[(3-iodophenyl)methyl]-1,4-diazepan-1-yl]-2-thiophen-2-ylethanone Traditional Name: 1-[4-(3-iodobenzyl)-1,4-diazepan-1-yl]-2-(2-thienyl)ethanone Formula: C18H21IN2OS MolecularWeight: 440.34161

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CC2=CC=CS2)CC3=CC(=CC=C3)I

Isomeric SMILES

C1CN(CCN(C1)C(=O)CC2=CC=CS2)CC3=CC(=CC=C3)I

InChI

InChI=1S/C18H21IN2OS/c19-16-5-1-4-15(12-16)14-20-7-3-8-21(10-9-20)18(22)13-17-6-2-11-23-17/h1-2,4-6,11-12H,3,7-10,13-14H2