1-(azepan-1-yl)-2-(4-iodanyl-3,5-dimethyl-pyrazol-1-yl)ethanone

Systemtic Name: 1-(azepan-1-yl)-2-(4-iodanyl-3,5-dimethyl-pyrazol-1-yl)ethanone Openeye Name: 1-(azepan-1-yl)-2-(4-iodo-3,5-dimethyl-pyrazol-1-yl)ethanone CAS Name: 1-(1-azepanyl)-2-(4-iodo-3,5-dimethyl-1-pyrazolyl)ethanone IUPAC Name: 1-(azepan-1-yl)-2-(4-iodo-3,5-dimethylpyrazol-1-yl)ethanone Traditional Name: 1-(azepan-1-yl)-2-(4-iodo-3,5-dimethyl-pyrazol-1-yl)ethanone Formula: C13H20IN3O MolecularWeight: 361.22187

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)N2CCCCCC2)C)I

Isomeric SMILES

CC1=C(C(=NN1CC(=O)N2CCCCCC2)C)I

InChI

InChI=1S/C13H20IN3O/c1-10-13(14)11(2)17(15-10)9-12(18)16-7-5-3-4-6-8-16/h3-9H2,1-2H3