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

Systemtic Name: 2-methyl-5-(2-methylpropyl)-4-phenoxy-4H-pyrazol-3-one Openeye Name: 5-isobutyl-2-methyl-4-phenoxy-4H-pyrazol-3-one CAS Name: 2-methyl-5-(2-methylpropyl)-4-phenoxy-4H-pyrazol-3-one IUPAC Name: 2-methyl-5-(2-methylpropyl)-4-phenoxy-4H-pyrazol-3-one Traditional Name: 5-isobutyl-2-methyl-4-phenoxy-2-pyrazolin-3-one Formula: C14H18N2O2 MolecularWeight: 246.30492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN(C(=O)C1OC2=CC=CC=C2)C

Isomeric SMILES

CC(C)CC1=NN(C(=O)C1OC2=CC=CC=C2)C

InChI

InChI=1S/C14H18N2O2/c1-10(2)9-12-13(14(17)16(3)15-12)18-11-7-5-4-6-8-11/h4-8,10,13H,9H2,1-3H3