(4E)-4-[[3-methyl-2-(4-morpholin-4-yl-4-oxidanylidene-butoxy)-4-propoxy-phenyl]methylidene]-1-phenyl-pyrazolidine-3,5-dione

Systemtic Name: (4E)-4-[[3-methyl-2-(4-morpholin-4-yl-4-oxidanylidene-butoxy)-4-propoxy-phenyl]methylidene]-1-phenyl-pyrazolidine-3,5-dione Openeye Name: (4E)-4-[[3-methyl-2-(4-morpholino-4-oxo-butoxy)-4-propoxy-phenyl]methylene]-1-phenyl-pyrazolidine-3,5-dione CAS Name: (4E)-4-[[3-methyl-2-[4-(4-morpholinyl)-4-oxobutoxy]-4-propoxyphenyl]methylidene]-1-phenylpyrazolidine-3,5-dione IUPAC Name: (4E)-4-[[3-methyl-2-(4-morpholin-4-yl-4-oxobutoxy)-4-propoxyphenyl]methylidene]-1-phenylpyrazolidine-3,5-dione Traditional Name: (4E)-4-[2-(4-keto-4-morpholino-butoxy)-3-methyl-4-propoxy-benzylidene]-1-phenyl-pyrazolidine-3,5-quinone Formula: C28H33N3O6 MolecularWeight: 507.57812

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C(=C(C=C1)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)OCCCC(=O)N4CCOCC4)C

Isomeric SMILES

CCCOC1=C(C(=C(C=C1)/C=C/2\C(=O)NN(C2=O)C3=CC=CC=C3)OCCCC(=O)N4CCOCC4)C

InChI

InChI=1S/C28H33N3O6/c1-3-15-36-24-12-11-21(19-23-27(33)29-31(28(23)34)22-8-5-4-6-9-22)26(20(24)2)37-16-7-10-25(32)30-13-17-35-18-14-30/h4-6,8-9,11-12,19H,3,7,10,13-18H2,1-2H3,(H,29,33)/b23-19+