4-[[2,5-dimethyl-1-(4-phenylmethoxyphenyl)pyrrol-3-yl]methylidene]-1-phenyl-pyrazolidine-3,5-dione

Systemtic Name: 4-[[2,5-dimethyl-1-(4-phenylmethoxyphenyl)pyrrol-3-yl]methylidene]-1-phenyl-pyrazolidine-3,5-dione Openeye Name: 4-[[1-(4-benzyloxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-1-phenyl-pyrazolidine-3,5-dione CAS Name: 4-[[2,5-dimethyl-1-(4-phenylmethoxyphenyl)-3-pyrrolyl]methylidene]-1-phenylpyrazolidine-3,5-dione IUPAC Name: 4-[[2,5-dimethyl-1-(4-phenylmethoxyphenyl)pyrrol-3-yl]methylidene]-1-phenylpyrazolidine-3,5-dione Traditional Name: 4-[[1-(4-benzoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-1-phenyl-pyrazolidine-3,5-quinone Formula: C29H25N3O3 MolecularWeight: 463.5271

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)OCC3=CC=CC=C3)C)C=C4C(=O)NN(C4=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)OCC3=CC=CC=C3)C)C=C4C(=O)NN(C4=O)C5=CC=CC=C5

InChI

InChI=1S/C29H25N3O3/c1-20-17-23(18-27-28(33)30-32(29(27)34)25-11-7-4-8-12-25)21(2)31(20)24-13-15-26(16-14-24)35-19-22-9-5-3-6-10-22/h3-18H,19H2,1-2H3,(H,30,33)