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

Systemtic Name: 4-[(3-methoxy-4-octoxy-phenyl)methylidene]-5-methyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[(3-methoxy-4-octoxy-phenyl)methylene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: 4-[(3-methoxy-4-octoxyphenyl)methylidene]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[(3-methoxy-4-octoxyphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one Traditional Name: 4-(3-methoxy-4-octoxy-benzylidene)-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C26H32N2O3 MolecularWeight: 420.54388

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H32N2O3/c1-4-5-6-7-8-12-17-31-24-16-15-21(19-25(24)30-3)18-23-20(2)27-28(26(23)29)22-13-10-9-11-14-22/h9-11,13-16,18-19H,4-8,12,17H2,1-3H3