1-(azepan-1-yl)-2-(4-iodanylpyrazol-1-yl)ethanone

Systemtic Name: 1-(azepan-1-yl)-2-(4-iodanylpyrazol-1-yl)ethanone Openeye Name: 1-(azepan-1-yl)-2-(4-iodopyrazol-1-yl)ethanone CAS Name: 1-(1-azepanyl)-2-(4-iodo-1-pyrazolyl)ethanone IUPAC Name: 1-(azepan-1-yl)-2-(4-iodopyrazol-1-yl)ethanone Traditional Name: 1-(azepan-1-yl)-2-(4-iodopyrazol-1-yl)ethanone Formula: C11H16IN3O MolecularWeight: 333.16871

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C=C(C=N2)I

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C=C(C=N2)I

InChI

InChI=1S/C11H16IN3O/c12-10-7-13-15(8-10)9-11(16)14-5-3-1-2-4-6-14/h7-8H,1-6,9H2