2-(4-fluorophenyl)-5-methyl-4-methylidene-pyrazol-3-one; 5-methyl-2-(2-methylphenyl)carbonyl-1H-pyrazol-3-one

Systemtic Name: 2-(4-fluorophenyl)-5-methyl-4-methylidene-pyrazol-3-one; 5-methyl-2-(2-methylphenyl)carbonyl-1H-pyrazol-3-one Openeye Name: 2-(4-fluorophenyl)-5-methyl-4-methylene-pyrazol-3-one; 5-methyl-2-(2-methylbenzoyl)-1H-pyrazol-3-one CAS Name: 2-(4-fluorophenyl)-5-methyl-4-methylene-3-pyrazolone; 5-methyl-2-[(2-methylphenyl)-oxomethyl]-1H-pyrazol-3-one IUPAC Name: 2-(4-fluorophenyl)-5-methyl-4-methylidenepyrazol-3-one; 5-methyl-2-(2-methylbenzoyl)-1H-pyrazol-3-one Traditional Name: 2-(4-fluorophenyl)-5-methyl-4-methylene-2-pyrazolin-3-one; 5-methyl-2-o-toluoyl-3-pyrazolin-3-one Formula: C23H21FN4O3 MolecularWeight: 420.436243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2C(=O)C=C(N2)C.CC1=NN(C(=O)C1=C)C2=CC=C(C=C2)F

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2C(=O)C=C(N2)C.CC1=NN(C(=O)C1=C)C2=CC=C(C=C2)F

InChI

InChI=1S/C12H12N2O2.C11H9FN2O/c1-8-5-3-4-6-10(8)12(16)14-11(15)7-9(2)13-14;1-7-8(2)13-14(11(7)15)10-5-3-9(12)4-6-10/h3-7,13H,1-2H3;3-6H,1H2,2H3