(4E)-4-[[3-(4-butoxyphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-5-methyl-2-phenyl-pyrazol-3-one

Systemtic Name: (4E)-4-[[3-(4-butoxyphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-5-methyl-2-phenyl-pyrazol-3-one Openeye Name: (4E)-4-[[3-(4-butoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: (4E)-4-[[3-(4-butoxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: (4E)-4-[[3-(4-butoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-5-methyl-2-phenylpyrazol-3-one Traditional Name: (4E)-4-[[3-(4-butoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C30H28N4O2 MolecularWeight: 476.56892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=NN(C3=O)C4=CC=CC=C4)C)C5=CC=CC=C5

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NN(C=C2/C=C/3\C(=NN(C3=O)C4=CC=CC=C4)C)C5=CC=CC=C5

InChI

InChI=1S/C30H28N4O2/c1-3-4-19-36-27-17-15-23(16-18-27)29-24(21-33(32-29)25-11-7-5-8-12-25)20-28-22(2)31-34(30(28)35)26-13-9-6-10-14-26/h5-18,20-21H,3-4,19H2,1-2H3/b28-20+