4-[(4-ethylphenyl)methyl]-5-methyl-1,2-dihydropyrazol-3-one

Systemtic Name: 4-[(4-ethylphenyl)methyl]-5-methyl-1,2-dihydropyrazol-3-one Openeye Name: 4-[(4-ethylphenyl)methyl]-5-methyl-1,2-dihydropyrazol-3-one CAS Name: 4-[(4-ethylphenyl)methyl]-5-methyl-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(4-ethylphenyl)methyl]-5-methyl-1,2-dihydropyrazol-3-one Traditional Name: 4-(4-ethylbenzyl)-5-methyl-3-pyrazolin-3-one Formula: C13H16N2O MolecularWeight: 216.27894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CC2=C(NNC2=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)CC2=C(NNC2=O)C

InChI

InChI=1S/C13H16N2O/c1-3-10-4-6-11(7-5-10)8-12-9(2)14-15-13(12)16/h4-7H,3,8H2,1-2H3,(H2,14,15,16)