5-methyl-4-methylidene-2-phenyl-pyrazol-3-one; 5-methyl-2-phenyl-1H-pyrazol-3-one

Systemtic Name: 5-methyl-4-methylidene-2-phenyl-pyrazol-3-one; 5-methyl-2-phenyl-1H-pyrazol-3-one Openeye Name: 5-methyl-4-methylene-2-phenyl-pyrazol-3-one; 5-methyl-2-phenyl-1H-pyrazol-3-one CAS Name: 5-methyl-4-methylene-2-phenyl-3-pyrazolone; 5-methyl-2-phenyl-1H-pyrazol-3-one IUPAC Name: 5-methyl-4-methylidene-2-phenylpyrazol-3-one; 5-methyl-2-phenyl-1H-pyrazol-3-one Traditional Name: 5-methyl-4-methylene-2-phenyl-2-pyrazolin-3-one; 5-methyl-2-phenyl-3-pyrazolin-3-one Formula: C21H20N4O2 MolecularWeight: 360.4091

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(N1)C2=CC=CC=C2.CC1=NN(C(=O)C1=C)C2=CC=CC=C2

Isomeric SMILES

CC1=CC(=O)N(N1)C2=CC=CC=C2.CC1=NN(C(=O)C1=C)C2=CC=CC=C2

InChI

InChI=1S/C11H10N2O.C10H10N2O/c1-8-9(2)12-13(11(8)14)10-6-4-3-5-7-10;1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h3-7H,1H2,2H3;2-7,11H,1H3