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

Systemtic Name: 5-methyl-4-[[4-(2-methylpropyl)phenyl]methyl]pyrazol-3-one Openeye Name: 4-[(4-isobutylphenyl)methyl]-5-methyl-pyrazol-3-one CAS Name: 5-methyl-4-[[4-(2-methylpropyl)phenyl]methyl]-3-pyrazolone IUPAC Name: 5-methyl-4-[[4-(2-methylpropyl)phenyl]methyl]pyrazol-3-one Traditional Name: 4-(4-isobutylbenzyl)-5-methyl-pyrazol-3-one Formula: C15H18N2O MolecularWeight: 242.31622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=N1)CC2=CC=C(C=C2)CC(C)C

Isomeric SMILES

CC1=C(C(=O)N=N1)CC2=CC=C(C=C2)CC(C)C

InChI

InChI=1S/C15H18N2O/c1-10(2)8-12-4-6-13(7-5-12)9-14-11(3)16-17-15(14)18/h4-7,10H,8-9H2,1-3H3