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

Systemtic Name: 2-[(3-chloranyl-4-methyl-phenyl)methyl]-5-ethyl-1H-pyrazol-3-one Openeye Name: 2-[(3-chloro-4-methyl-phenyl)methyl]-5-ethyl-1H-pyrazol-3-one CAS Name: 2-[(3-chloro-4-methylphenyl)methyl]-5-ethyl-1H-pyrazol-3-one IUPAC Name: 2-[(3-chloro-4-methylphenyl)methyl]-5-ethyl-1H-pyrazol-3-one Traditional Name: 2-(3-chloro-4-methyl-benzyl)-5-ethyl-3-pyrazolin-3-one Formula: C13H15ClN2O MolecularWeight: 250.724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)N(N1)CC2=CC(=C(C=C2)C)Cl

Isomeric SMILES

CCC1=CC(=O)N(N1)CC2=CC(=C(C=C2)C)Cl

InChI

InChI=1S/C13H15ClN2O/c1-3-11-7-13(17)16(15-11)8-10-5-4-9(2)12(14)6-10/h4-7,15H,3,8H2,1-2H3