4-butyl-2-(6-chloranylpyridin-2-yl)-5-methyl-1H-pyrazol-3-one

Systemtic Name: 4-butyl-2-(6-chloranylpyridin-2-yl)-5-methyl-1H-pyrazol-3-one Openeye Name: 4-butyl-2-(6-chloro-2-pyridyl)-5-methyl-1H-pyrazol-3-one CAS Name: 4-butyl-2-(6-chloro-2-pyridinyl)-5-methyl-1H-pyrazol-3-one IUPAC Name: 4-butyl-2-(6-chloropyridin-2-yl)-5-methyl-1H-pyrazol-3-one Traditional Name: 4-butyl-2-(6-chloro-2-pyridyl)-5-methyl-3-pyrazolin-3-one Formula: C13H16ClN3O MolecularWeight: 265.73864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(NN(C1=O)C2=NC(=CC=C2)Cl)C

Isomeric SMILES

CCCCC1=C(NN(C1=O)C2=NC(=CC=C2)Cl)C

InChI

InChI=1S/C13H16ClN3O/c1-3-4-6-10-9(2)16-17(13(10)18)12-8-5-7-11(14)15-12/h5,7-8,16H,3-4,6H2,1-2H3