3-heptyl-4-hexyl-1,4-dihydropyrazol-5-one

Systemtic Name: 3-heptyl-4-hexyl-1,4-dihydropyrazol-5-one Openeye Name: 3-heptyl-4-hexyl-1,4-dihydropyrazol-5-one CAS Name: 3-heptyl-4-hexyl-1,4-dihydropyrazol-5-one IUPAC Name: 3-heptyl-4-hexyl-1,4-dihydropyrazol-5-one Traditional Name: 5-heptyl-4-hexyl-2-pyrazolin-3-one Formula: C16H30N2O MolecularWeight: 266.4222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=NNC(=O)C1CCCCCC

Isomeric SMILES

CCCCCCCC1=NNC(=O)C1CCCCCC

InChI

InChI=1S/C16H30N2O/c1-3-5-7-9-11-13-15-14(16(19)18-17-15)12-10-8-6-4-2/h14H,3-13H2,1-2H3,(H,18,19)