2-[1-(4-chlorophenyl)ethyl]-5-methyl-1H-pyrazol-3-one

Systemtic Name: 2-[1-(4-chlorophenyl)ethyl]-5-methyl-1H-pyrazol-3-one Openeye Name: 2-[1-(4-chlorophenyl)ethyl]-5-methyl-1H-pyrazol-3-one CAS Name: 2-[1-(4-chlorophenyl)ethyl]-5-methyl-1H-pyrazol-3-one IUPAC Name: 2-[1-(4-chlorophenyl)ethyl]-5-methyl-1H-pyrazol-3-one Traditional Name: 2-[1-(4-chlorophenyl)ethyl]-5-methyl-3-pyrazolin-3-one Formula: C12H13ClN2O MolecularWeight: 236.69742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(N1)C(C)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=CC(=O)N(N1)C(C)C2=CC=C(C=C2)Cl

InChI

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