4-hexyl-2-pyridin-2-yl-1H-pyrazol-3-one

Systemtic Name: 4-hexyl-2-pyridin-2-yl-1H-pyrazol-3-one Openeye Name: 4-hexyl-2-(2-pyridyl)-1H-pyrazol-3-one CAS Name: 4-hexyl-2-(2-pyridinyl)-1H-pyrazol-3-one IUPAC Name: 4-hexyl-2-pyridin-2-yl-1H-pyrazol-3-one Traditional Name: 4-hexyl-2-(2-pyridyl)-3-pyrazolin-3-one Formula: C14H19N3O MolecularWeight: 245.32016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CNN(C1=O)C2=CC=CC=N2

Isomeric SMILES

CCCCCCC1=CNN(C1=O)C2=CC=CC=N2

InChI

InChI=1S/C14H19N3O/c1-2-3-4-5-8-12-11-16-17(14(12)18)13-9-6-7-10-15-13/h6-7,9-11,16H,2-5,8H2,1H3