2-(phenylmethyl)-5-propyl-4H-pyrazol-3-one

Systemtic Name: 2-(phenylmethyl)-5-propyl-4H-pyrazol-3-one Openeye Name: 2-benzyl-5-propyl-4H-pyrazol-3-one CAS Name: 2-(phenylmethyl)-5-propyl-4H-pyrazol-3-one IUPAC Name: 2-benzyl-5-propyl-4H-pyrazol-3-one Traditional Name: 2-benzyl-5-propyl-2-pyrazolin-3-one Formula: C13H16N2O MolecularWeight: 216.27894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1)CC2=CC=CC=C2

Isomeric SMILES

CCCC1=NN(C(=O)C1)CC2=CC=CC=C2

InChI

InChI=1S/C13H16N2O/c1-2-6-12-9-13(16)15(14-12)10-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3