5-tert-butyl-2-(3-methylbutyl)-4H-pyrazol-3-one

Systemtic Name: 5-tert-butyl-2-(3-methylbutyl)-4H-pyrazol-3-one Openeye Name: 5-tert-butyl-2-isopentyl-4H-pyrazol-3-one CAS Name: 5-tert-butyl-2-(3-methylbutyl)-4H-pyrazol-3-one IUPAC Name: 5-tert-butyl-2-(3-methylbutyl)-4H-pyrazol-3-one Traditional Name: 5-tert-butyl-2-isoamyl-2-pyrazolin-3-one Formula: C12H22N2O MolecularWeight: 210.31588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)CC(=N1)C(C)(C)C

Isomeric SMILES

CC(C)CCN1C(=O)CC(=N1)C(C)(C)C

InChI

InChI=1S/C12H22N2O/c1-9(2)6-7-14-11(15)8-10(13-14)12(3,4)5/h9H,6-8H2,1-5H3