2,5-dimethyl-4-(3-phenylprop-2-ynoyl)-1H-pyrazol-3-one

Systemtic Name: 2,5-dimethyl-4-(3-phenylprop-2-ynoyl)-1H-pyrazol-3-one Openeye Name: 2,5-dimethyl-4-(3-phenylprop-2-ynoyl)-1H-pyrazol-3-one CAS Name: 2,5-dimethyl-4-(1-oxo-3-phenylprop-2-ynyl)-1H-pyrazol-3-one IUPAC Name: 2,5-dimethyl-4-(3-phenylprop-2-ynoyl)-1H-pyrazol-3-one Traditional Name: 2,5-dimethyl-4-(3-phenylpropioloyl)-3-pyrazolin-3-one Formula: C14H12N2O2 MolecularWeight: 240.25728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C)C(=O)C#CC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=O)N(N1)C)C(=O)C#CC2=CC=CC=C2

InChI

InChI=1S/C14H12N2O2/c1-10-13(14(18)16(2)15-10)12(17)9-8-11-6-4-3-5-7-11/h3-7,15H,1-2H3