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

Systemtic Name: 2-(4-azanyl-3,5-dimethyl-pyrazol-1-yl)-1-(azepan-1-yl)ethanone Openeye Name: 2-(4-amino-3,5-dimethyl-pyrazol-1-yl)-1-(azepan-1-yl)ethanone CAS Name: 2-(4-amino-3,5-dimethyl-1-pyrazolyl)-1-(1-azepanyl)ethanone IUPAC Name: 2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(azepan-1-yl)ethanone Traditional Name: 2-(4-amino-3,5-dimethyl-pyrazol-1-yl)-1-(azepan-1-yl)ethanone Formula: C13H22N4O MolecularWeight: 250.33998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22N4O/c1-10-13(14)11(2)17(15-10)9-12(18)16-7-5-3-4-6-8-16/h3-9,14H2,1-2H3