2-methyl-1-(1-phenylpyrazol-4-yl)butan-1-one

Systemtic Name: 2-methyl-1-(1-phenylpyrazol-4-yl)butan-1-one Openeye Name: 2-methyl-1-(1-phenylpyrazol-4-yl)butan-1-one CAS Name: 2-methyl-1-(1-phenyl-4-pyrazolyl)-1-butanone IUPAC Name: 2-methyl-1-(1-phenylpyrazol-4-yl)butan-1-one Traditional Name: 2-methyl-1-(1-phenylpyrazol-4-yl)butan-1-one Formula: C14H16N2O MolecularWeight: 228.28964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O/c1-3-11(2)14(17)12-9-15-16(10-12)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3