4-[(3-ethoxy-4-octoxy-phenyl)methylidene]-5-methyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[(3-ethoxy-4-octoxy-phenyl)methylidene]-5-methyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[(3-ethoxy-4-octoxy-phenyl)methylene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: 4-[(3-ethoxy-4-octoxyphenyl)methylidene]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[(3-ethoxy-4-octoxyphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one Traditional Name: 4-(3-ethoxy-4-octoxy-benzylidene)-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C27H34N2O3 MolecularWeight: 434.57046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C=C2C(=NN(C2=O)C3=CC=CC=C3)C)OCC

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C=C2C(=NN(C2=O)C3=CC=CC=C3)C)OCC

InChI

InChI=1S/C27H34N2O3/c1-4-6-7-8-9-13-18-32-25-17-16-22(20-26(25)31-5-2)19-24-21(3)28-29(27(24)30)23-14-11-10-12-15-23/h10-12,14-17,19-20H,4-9,13,18H2,1-3H3