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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=NN(C1=O)C2=CC=C(C=C2)Cl)C

Isomeric SMILES

CCC1C(=NN(C1=O)C2=CC=C(C=C2)Cl)C

InChI

InChI=1S/C12H13ClN2O/c1-3-11-8(2)14-15(12(11)16)10-6-4-9(13)5-7-10/h4-7,11H,3H2,1-2H3