5-methyl-4-pentanoyl-2-phenyl-1H-pyrazol-3-one

Systemtic Name: 5-methyl-4-pentanoyl-2-phenyl-1H-pyrazol-3-one Openeye Name: 5-methyl-4-pentanoyl-2-phenyl-1H-pyrazol-3-one CAS Name: 5-methyl-4-(1-oxopentyl)-2-phenyl-1H-pyrazol-3-one IUPAC Name: 5-methyl-4-pentanoyl-2-phenyl-1H-pyrazol-3-one Traditional Name: 5-methyl-2-phenyl-4-valeryl-3-pyrazolin-3-one Formula: C15H18N2O2 MolecularWeight: 258.31562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=C(NN(C1=O)C2=CC=CC=C2)C

Isomeric SMILES

CCCCC(=O)C1=C(NN(C1=O)C2=CC=CC=C2)C

InChI

InChI=1S/C15H18N2O2/c1-3-4-10-13(18)14-11(2)16-17(15(14)19)12-8-6-5-7-9-12/h5-9,16H,3-4,10H2,1-2H3