(4Z)-4-[[3-(4-hexoxyphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-2,5-diphenyl-pyrazol-3-one

Systemtic Name: (4Z)-4-[[3-(4-hexoxyphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-2,5-diphenyl-pyrazol-3-one Openeye Name: (4Z)-4-[[3-(4-hexoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-2,5-diphenyl-pyrazol-3-one CAS Name: (4Z)-4-[[3-(4-hexoxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-2,5-diphenyl-3-pyrazolone IUPAC Name: (4Z)-4-[[3-(4-hexoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2,5-diphenylpyrazol-3-one Traditional Name: (4Z)-4-[[3-(4-hexoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-2,5-diphenyl-2-pyrazolin-3-one Formula: C37H34N4O2 MolecularWeight: 566.69146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=NN(C3=O)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=NN(C=C2/C=C\3/C(=NN(C3=O)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C37H34N4O2/c1-2-3-4-14-25-43-33-23-21-29(22-24-33)35-30(27-40(38-35)31-17-10-6-11-18-31)26-34-36(28-15-8-5-9-16-28)39-41(37(34)42)32-19-12-7-13-20-32/h5-13,15-24,26-27H,2-4,14,25H2,1H3/b34-26-