3-methyl-4-phenethyl-1,4-dihydropyrazol-5-one

Systemtic Name: 3-methyl-4-phenethyl-1,4-dihydropyrazol-5-one Openeye Name: 3-methyl-4-phenethyl-1,4-dihydropyrazol-5-one CAS Name: 3-methyl-4-phenethyl-1,4-dihydropyrazol-5-one IUPAC Name: 3-methyl-4-phenethyl-1,4-dihydropyrazol-5-one Traditional Name: 5-methyl-4-phenethyl-2-pyrazolin-3-one Formula: C12H14N2O MolecularWeight: 202.25236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=O)C1CCC2=CC=CC=C2

Isomeric SMILES

CC1=NNC(=O)C1CCC2=CC=CC=C2

InChI

InChI=1S/C12H14N2O/c1-9-11(12(15)14-13-9)8-7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,14,15)