4,4-dimethyl-3-phenethyl-1H-pyrazol-5-one

Systemtic Name: 4,4-dimethyl-3-phenethyl-1H-pyrazol-5-one Openeye Name: 4,4-dimethyl-3-phenethyl-1H-pyrazol-5-one CAS Name: 4,4-dimethyl-3-phenethyl-1H-pyrazol-5-one IUPAC Name: 4,4-dimethyl-3-phenethyl-1H-pyrazol-5-one Traditional Name: 4,4-dimethyl-5-phenethyl-2-pyrazolin-3-one Formula: C13H16N2O MolecularWeight: 216.27894

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=NNC1=O)CCC2=CC=CC=C2)C

Isomeric SMILES

CC1(C(=NNC1=O)CCC2=CC=CC=C2)C

InChI

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