(4E)-5-methyl-4-[(4-pentoxyphenyl)methylidene]-2-phenyl-pyrazol-3-one

Systemtic Name: (4E)-5-methyl-4-[(4-pentoxyphenyl)methylidene]-2-phenyl-pyrazol-3-one Openeye Name: (4E)-5-methyl-4-[(4-pentoxyphenyl)methylene]-2-phenyl-pyrazol-3-one CAS Name: (4E)-5-methyl-4-[(4-pentoxyphenyl)methylidene]-2-phenyl-3-pyrazolone IUPAC Name: (4E)-5-methyl-4-[(4-pentoxyphenyl)methylidene]-2-phenylpyrazol-3-one Traditional Name: (4E)-4-(4-amoxybenzylidene)-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C22H24N2O2 MolecularWeight: 348.43816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C=C2C(=NN(C2=O)C3=CC=CC=C3)C

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)/C=C/2\C(=NN(C2=O)C3=CC=CC=C3)C

InChI

InChI=1S/C22H24N2O2/c1-3-4-8-15-26-20-13-11-18(12-14-20)16-21-17(2)23-24(22(21)25)19-9-6-5-7-10-19/h5-7,9-14,16H,3-4,8,15H2,1-2H3/b21-16+