4-hexyl-1,2-dihydropyrazol-3-one

Systemtic Name: 4-hexyl-1,2-dihydropyrazol-3-one Openeye Name: 4-hexyl-1,2-dihydropyrazol-3-one CAS Name: 4-hexyl-1,2-dihydropyrazol-3-one IUPAC Name: 4-hexyl-1,2-dihydropyrazol-3-one Traditional Name: 4-hexyl-3-pyrazolin-3-one Formula: C9H16N2O MolecularWeight: 168.23614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CNNC1=O

Isomeric SMILES

CCCCCCC1=CNNC1=O

InChI

InChI=1S/C9H16N2O/c1-2-3-4-5-6-8-7-10-11-9(8)12/h7H,2-6H2,1H3,(H2,10,11,12)