5-methyl-4-(2-methylpropyl)-2-phenyl-4H-pyrazol-3-one

Systemtic Name: 5-methyl-4-(2-methylpropyl)-2-phenyl-4H-pyrazol-3-one Openeye Name: 4-isobutyl-5-methyl-2-phenyl-4H-pyrazol-3-one CAS Name: 5-methyl-4-(2-methylpropyl)-2-phenyl-4H-pyrazol-3-one IUPAC Name: 5-methyl-4-(2-methylpropyl)-2-phenyl-4H-pyrazol-3-one Traditional Name: 4-isobutyl-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C14H18N2O MolecularWeight: 230.30552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1CC(C)C)C2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=O)C1CC(C)C)C2=CC=CC=C2

InChI

InChI=1S/C14H18N2O/c1-10(2)9-13-11(3)15-16(14(13)17)12-7-5-4-6-8-12/h4-8,10,13H,9H2,1-3H3