4-butyl-2-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-one

Systemtic Name: 4-butyl-2-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-one Openeye Name: 4-butyl-2-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-one CAS Name: 4-butyl-2-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-one IUPAC Name: 4-butyl-2-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-one Traditional Name: 4-butyl-2-(4-chlorophenyl)-5-methyl-3-pyrazolin-3-one Formula: C14H17ClN2O MolecularWeight: 264.75058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17ClN2O/c1-3-4-5-13-10(2)16-17(14(13)18)12-8-6-11(15)7-9-12/h6-9,16H,3-5H2,1-2H3