2-(3-chlorophenyl)-5-propyl-4H-pyrazol-3-one

Systemtic Name: 2-(3-chlorophenyl)-5-propyl-4H-pyrazol-3-one Openeye Name: 2-(3-chlorophenyl)-5-propyl-4H-pyrazol-3-one CAS Name: 2-(3-chlorophenyl)-5-propyl-4H-pyrazol-3-one IUPAC Name: 2-(3-chlorophenyl)-5-propyl-4H-pyrazol-3-one Traditional Name: 2-(3-chlorophenyl)-5-propyl-2-pyrazolin-3-one Formula: C12H13ClN2O MolecularWeight: 236.69742

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1)C2=CC(=CC=C2)Cl

Isomeric SMILES

CCCC1=NN(C(=O)C1)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C12H13ClN2O/c1-2-4-10-8-12(16)15(14-10)11-6-3-5-9(13)7-11/h3,5-7H,2,4,8H2,1H3