4-butyl-2-(6-chloranylpyridin-2-yl)-1,5-dimethyl-pyrazol-3-one

Systemtic Name: 4-butyl-2-(6-chloranylpyridin-2-yl)-1,5-dimethyl-pyrazol-3-one Openeye Name: 4-butyl-2-(6-chloro-2-pyridyl)-1,5-dimethyl-pyrazol-3-one CAS Name: 4-butyl-2-(6-chloro-2-pyridinyl)-1,5-dimethyl-3-pyrazolone IUPAC Name: 4-butyl-2-(6-chloropyridin-2-yl)-1,5-dimethylpyrazol-3-one Traditional Name: 4-butyl-2-(6-chloro-2-pyridyl)-1,5-dimethyl-3-pyrazolin-3-one Formula: C14H18ClN3O MolecularWeight: 279.76522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18ClN3O/c1-4-5-7-11-10(2)17(3)18(14(11)19)13-9-6-8-12(15)16-13/h6,8-9H,4-5,7H2,1-3H3