N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2-iodanyl-benzamide

Systemtic Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2-iodanyl-benzamide Openeye Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2-iodo-benzamide CAS Name: N-[2-(1-azepanyl)-2-(1-methyl-2-pyrrolyl)ethyl]-2-iodobenzamide IUPAC Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2-iodobenzamide Traditional Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2-iodo-benzamide Formula: C20H26IN3O MolecularWeight: 451.34441

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(CNC(=O)C2=CC=CC=C2I)N3CCCCCC3

Isomeric SMILES

CN1C=CC=C1C(CNC(=O)C2=CC=CC=C2I)N3CCCCCC3

InChI

InChI=1S/C20H26IN3O/c1-23-12-8-11-18(23)19(24-13-6-2-3-7-14-24)15-22-20(25)16-9-4-5-10-17(16)21/h4-5,8-12,19H,2-3,6-7,13-15H2,1H3,(H,22,25)