5-tert-butyl-2-[(4-methylphenyl)methyl]-4H-pyrazol-3-one

Systemtic Name: 5-tert-butyl-2-[(4-methylphenyl)methyl]-4H-pyrazol-3-one Openeye Name: 5-tert-butyl-2-(p-tolylmethyl)-4H-pyrazol-3-one CAS Name: 5-tert-butyl-2-[(4-methylphenyl)methyl]-4H-pyrazol-3-one IUPAC Name: 5-tert-butyl-2-[(4-methylphenyl)methyl]-4H-pyrazol-3-one Traditional Name: 5-tert-butyl-2-(4-methylbenzyl)-2-pyrazolin-3-one Formula: C15H20N2O MolecularWeight: 244.3321

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)CC(=N2)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)CC(=N2)C(C)(C)C

InChI

InChI=1S/C15H20N2O/c1-11-5-7-12(8-6-11)10-17-14(18)9-13(16-17)15(2,3)4/h5-8H,9-10H2,1-4H3