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

Systemtic Name: 4-[(3-bromanyl-5-ethoxy-4-hexoxy-phenyl)methylidene]-5-methyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[(3-bromo-5-ethoxy-4-hexoxy-phenyl)methylene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: 4-[(3-bromo-5-ethoxy-4-hexoxyphenyl)methylidene]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[(3-bromo-5-ethoxy-4-hexoxyphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one Traditional Name: 4-(3-bromo-5-ethoxy-4-hexoxy-benzylidene)-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C25H29BrN2O3 MolecularWeight: 485.41336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1Br)C=C2C(=NN(C2=O)C3=CC=CC=C3)C)OCC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1Br)C=C2C(=NN(C2=O)C3=CC=CC=C3)C)OCC

InChI

InChI=1S/C25H29BrN2O3/c1-4-6-7-11-14-31-24-22(26)16-19(17-23(24)30-5-2)15-21-18(3)27-28(25(21)29)20-12-9-8-10-13-20/h8-10,12-13,15-17H,4-7,11,14H2,1-3H3