4-[[5-bromanyl-2-(2-morpholin-4-yl-2-oxidanylidene-ethoxy)phenyl]methylidene]-1-phenyl-pyrazolidine-3,5-dione

Systemtic Name: 4-[[5-bromanyl-2-(2-morpholin-4-yl-2-oxidanylidene-ethoxy)phenyl]methylidene]-1-phenyl-pyrazolidine-3,5-dione Openeye Name: 4-[[5-bromo-2-(2-morpholino-2-oxo-ethoxy)phenyl]methylene]-1-phenyl-pyrazolidine-3,5-dione CAS Name: 4-[[5-bromo-2-[2-(4-morpholinyl)-2-oxoethoxy]phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione IUPAC Name: 4-[[5-bromo-2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione Traditional Name: 4-[5-bromo-2-(2-keto-2-morpholino-ethoxy)benzylidene]-1-phenyl-pyrazolidine-3,5-quinone Formula: C22H20BrN3O5 MolecularWeight: 486.3153

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)COC2=C(C=C(C=C2)Br)C=C3C(=O)NN(C3=O)C4=CC=CC=C4

Isomeric SMILES

C1COCCN1C(=O)COC2=C(C=C(C=C2)Br)C=C3C(=O)NN(C3=O)C4=CC=CC=C4

InChI

InChI=1S/C22H20BrN3O5/c23-16-6-7-19(31-14-20(27)25-8-10-30-11-9-25)15(12-16)13-18-21(28)24-26(22(18)29)17-4-2-1-3-5-17/h1-7,12-13H,8-11,14H2,(H,24,28)