5-methyl-2-(3-phenylpropyl)-1H-pyrazol-3-one

Systemtic Name: 5-methyl-2-(3-phenylpropyl)-1H-pyrazol-3-one Openeye Name: 5-methyl-2-(3-phenylpropyl)-1H-pyrazol-3-one CAS Name: 5-methyl-2-(3-phenylpropyl)-1H-pyrazol-3-one IUPAC Name: 5-methyl-2-(3-phenylpropyl)-1H-pyrazol-3-one Traditional Name: 5-methyl-2-(3-phenylpropyl)-3-pyrazolin-3-one Formula: C13H16N2O MolecularWeight: 216.27894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(N1)CCCC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=O)N(N1)CCCC2=CC=CC=C2

InChI

InChI=1S/C13H16N2O/c1-11-10-13(16)15(14-11)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,10,14H,5,8-9H2,1H3