2-ethyl-1-(1-methylpyrazol-4-yl)hexan-1-one

Systemtic Name: 2-ethyl-1-(1-methylpyrazol-4-yl)hexan-1-one Openeye Name: 2-ethyl-1-(1-methylpyrazol-4-yl)hexan-1-one CAS Name: 2-ethyl-1-(1-methyl-4-pyrazolyl)-1-hexanone IUPAC Name: 2-ethyl-1-(1-methylpyrazol-4-yl)hexan-1-one Traditional Name: 2-ethyl-1-(1-methylpyrazol-4-yl)hexan-1-one Formula: C12H20N2O MolecularWeight: 208.3

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)C1=CN(N=C1)C

Isomeric SMILES

CCCCC(CC)C(=O)C1=CN(N=C1)C

InChI

InChI=1S/C12H20N2O/c1-4-6-7-10(5-2)12(15)11-8-13-14(3)9-11/h8-10H,4-7H2,1-3H3