(4E)-4-[[3-(4-ethylphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-3-methyl-1H-pyrazol-5-one

Systemtic Name: (4E)-4-[[3-(4-ethylphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-3-methyl-1H-pyrazol-5-one Openeye Name: (4E)-4-[[3-(4-ethylphenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-methyl-1H-pyrazol-5-one CAS Name: (4E)-4-[[3-(4-ethylphenyl)-1-phenyl-4-pyrazolyl]methylidene]-3-methyl-1H-pyrazol-5-one IUPAC Name: (4E)-4-[[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-methyl-1H-pyrazol-5-one Traditional Name: (4E)-4-[[3-(4-ethylphenyl)-1-phenyl-pyrazol-4-yl]methylene]-5-methyl-2-pyrazolin-3-one Formula: C22H20N4O MolecularWeight: 356.4204

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=NNC3=O)C)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN(C=C2/C=C/3\C(=NNC3=O)C)C4=CC=CC=C4

InChI

InChI=1S/C22H20N4O/c1-3-16-9-11-17(12-10-16)21-18(13-20-15(2)23-24-22(20)27)14-26(25-21)19-7-5-4-6-8-19/h4-14H,3H2,1-2H3,(H,24,27)/b20-13+