(3S,5S)-3,5-diethyl-3,5-dimethyl-pyrazol-4-one

Systemtic Name: (3S,5S)-3,5-diethyl-3,5-dimethyl-pyrazol-4-one Openeye Name: (3S,5S)-3,5-diethyl-3,5-dimethyl-pyrazol-4-one CAS Name: (3S,5S)-3,5-diethyl-3,5-dimethyl-4-pyrazolone IUPAC Name: (3S,5S)-3,5-diethyl-3,5-dimethylpyrazol-4-one Traditional Name: (3S,5S)-3,5-diethyl-3,5-dimethyl-1-pyrazolin-4-one Formula: C9H16N2O MolecularWeight: 168.23614

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=O)C(N=N1)(C)CC)C

Isomeric SMILES

CC[C@]1(C(=O)[C@](N=N1)(C)CC)C

InChI

InChI=1S/C9H16N2O/c1-5-8(3)7(12)9(4,6-2)11-10-8/h5-6H2,1-4H3/t8-,9-/m0/s1