2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-5-methyl-4H-pyrazol-3-one

Systemtic Name: 2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-5-methyl-4H-pyrazol-3-one Openeye Name: 2-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]-5-methyl-4H-pyrazol-3-one CAS Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-5-methyl-4H-pyrazol-3-one IUPAC Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-5-methyl-4H-pyrazol-3-one Traditional Name: 2-(3,5-ditert-butyl-4-hydroxy-benzyl)-5-methyl-2-pyrazolin-3-one Formula: C19H28N2O2 MolecularWeight: 316.43782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1)CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CC1=NN(C(=O)C1)CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C19H28N2O2/c1-12-8-16(22)21(20-12)11-13-9-14(18(2,3)4)17(23)15(10-13)19(5,6)7/h9-10,23H,8,11H2,1-7H3