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

Systemtic Name: [4-[(3-iodanylphenyl)methyl]-1,4-diazepan-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[(3-iodophenyl)methyl]-1,4-diazepan-1-yl]-(2-thienyl)methanone CAS Name: [4-[(3-iodophenyl)methyl]-1,4-diazepan-1-yl]-thiophen-2-ylmethanone IUPAC Name: [4-[(3-iodophenyl)methyl]-1,4-diazepan-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-(3-iodobenzyl)-1,4-diazepan-1-yl]-(2-thienyl)methanone Formula: C17H19IN2OS MolecularWeight: 426.31503

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=CS2)CC3=CC(=CC=C3)I

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=CS2)CC3=CC(=CC=C3)I

InChI

InChI=1S/C17H19IN2OS/c18-15-5-1-4-14(12-15)13-19-7-3-8-20(10-9-19)17(21)16-6-2-11-22-16/h1-2,4-6,11-12H,3,7-10,13H2