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

Systemtic Name: 1-(1-phenylpyrazol-4-yl)butan-1-one Openeye Name: 1-(1-phenylpyrazol-4-yl)butan-1-one CAS Name: 1-(1-phenyl-4-pyrazolyl)-1-butanone IUPAC Name: 1-(1-phenylpyrazol-4-yl)butan-1-one Traditional Name: 1-(1-phenylpyrazol-4-yl)butan-1-one Formula: C13H14N2O MolecularWeight: 214.26306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O/c1-2-6-13(16)11-9-14-15(10-11)12-7-4-3-5-8-12/h3-5,7-10H,2,6H2,1H3