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

Systemtic Name: 2-ethyl-1-(1-phenylpyrazol-4-yl)hexan-1-one Openeye Name: 2-ethyl-1-(1-phenylpyrazol-4-yl)hexan-1-one CAS Name: 2-ethyl-1-(1-phenyl-4-pyrazolyl)-1-hexanone IUPAC Name: 2-ethyl-1-(1-phenylpyrazol-4-yl)hexan-1-one Traditional Name: 2-ethyl-1-(1-phenylpyrazol-4-yl)hexan-1-one Formula: C17H22N2O MolecularWeight: 270.36938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)C1=CN(N=C1)C2=CC=CC=C2

Isomeric SMILES

CCCCC(CC)C(=O)C1=CN(N=C1)C2=CC=CC=C2

InChI

InChI=1S/C17H22N2O/c1-3-5-9-14(4-2)17(20)15-12-18-19(13-15)16-10-7-6-8-11-16/h6-8,10-14H,3-5,9H2,1-2H3