1-benzothiophen-2-yl-[4-[(3-iodanylphenyl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: 1-benzothiophen-2-yl-[4-[(3-iodanylphenyl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: benzothiophen-2-yl-[4-[(3-iodophenyl)methyl]-1,4-diazepan-1-yl]methanone CAS Name: 1-benzothiophen-2-yl-[4-[(3-iodophenyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: 1-benzothiophen-2-yl-[4-[(3-iodophenyl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: benzothiophen-2-yl-[4-(3-iodobenzyl)-1,4-diazepan-1-yl]methanone Formula: C21H21IN2OS MolecularWeight: 476.37371

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC3=CC=CC=C3S2)CC4=CC(=CC=C4)I

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC3=CC=CC=C3S2)CC4=CC(=CC=C4)I

InChI

InChI=1S/C21H21IN2OS/c22-18-7-3-5-16(13-18)15-23-9-4-10-24(12-11-23)21(25)20-14-17-6-1-2-8-19(17)26-20/h1-3,5-8,13-14H,4,9-12,15H2