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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CNN(C1=O)CCC2=CC(=CC=C2)Cl

Isomeric SMILES

CC1=CNN(C1=O)CCC2=CC(=CC=C2)Cl

InChI

InChI=1S/C12H13ClN2O/c1-9-8-14-15(12(9)16)6-5-10-3-2-4-11(13)7-10/h2-4,7-8,14H,5-6H2,1H3