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

Systemtic Name: 3-methyl-1-(1-phenylpyrazol-4-yl)butan-1-one Openeye Name: 3-methyl-1-(1-phenylpyrazol-4-yl)butan-1-one CAS Name: 3-methyl-1-(1-phenyl-4-pyrazolyl)-1-butanone IUPAC Name: 3-methyl-1-(1-phenylpyrazol-4-yl)butan-1-one Traditional Name: 3-methyl-1-(1-phenylpyrazol-4-yl)butan-1-one Formula: C14H16N2O MolecularWeight: 228.28964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O/c1-11(2)8-14(17)12-9-15-16(10-12)13-6-4-3-5-7-13/h3-7,9-11H,8H2,1-2H3