5-tert-butyl-2-[(2S)-heptan-2-yl]-4H-pyrazol-3-one

Systemtic Name: 5-tert-butyl-2-[(2S)-heptan-2-yl]-4H-pyrazol-3-one Openeye Name: 5-tert-butyl-2-[(1S)-1-methylhexyl]-4H-pyrazol-3-one CAS Name: 5-tert-butyl-2-[(2S)-heptan-2-yl]-4H-pyrazol-3-one IUPAC Name: 5-tert-butyl-2-[(2S)-heptan-2-yl]-4H-pyrazol-3-one Traditional Name: 5-tert-butyl-2-[(1S)-1-methylhexyl]-2-pyrazolin-3-one Formula: C14H26N2O MolecularWeight: 238.36904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)N1C(=O)CC(=N1)C(C)(C)C

Isomeric SMILES

CCCCC[C@H](C)N1C(=O)CC(=N1)C(C)(C)C

InChI

InChI=1S/C14H26N2O/c1-6-7-8-9-11(2)16-13(17)10-12(15-16)14(3,4)5/h11H,6-10H2,1-5H3/t11-/m0/s1