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

Systemtic Name: 4-[[2,5-dimethyl-1-(4-prop-2-ynoxyphenyl)pyrrol-3-yl]methylidene]-1-phenyl-pyrazolidine-3,5-dione Openeye Name: 4-[[2,5-dimethyl-1-(4-prop-2-ynoxyphenyl)pyrrol-3-yl]methylene]-1-phenyl-pyrazolidine-3,5-dione CAS Name: 4-[[2,5-dimethyl-1-(4-prop-2-ynoxyphenyl)-3-pyrrolyl]methylidene]-1-phenylpyrazolidine-3,5-dione IUPAC Name: 4-[[2,5-dimethyl-1-(4-prop-2-ynoxyphenyl)pyrrol-3-yl]methylidene]-1-phenylpyrazolidine-3,5-dione Traditional Name: 4-[[2,5-dimethyl-1-(4-propargyloxyphenyl)pyrrol-3-yl]methylene]-1-phenyl-pyrazolidine-3,5-quinone Formula: C25H21N3O3 MolecularWeight: 411.45254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)OCC#C)C)C=C3C(=O)NN(C3=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)OCC#C)C)C=C3C(=O)NN(C3=O)C4=CC=CC=C4

InChI

InChI=1S/C25H21N3O3/c1-4-14-31-22-12-10-20(11-13-22)27-17(2)15-19(18(27)3)16-23-24(29)26-28(25(23)30)21-8-6-5-7-9-21/h1,5-13,15-16H,14H2,2-3H3,(H,26,29)