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

Systemtic Name: 4-[[1-(4-butan-2-yloxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-1-phenyl-pyrazolidine-3,5-dione Openeye Name: 4-[[2,5-dimethyl-1-(4-sec-butoxyphenyl)pyrrol-3-yl]methylene]-1-phenyl-pyrazolidine-3,5-dione CAS Name: 4-[[1-(4-butan-2-yloxyphenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-1-phenylpyrazolidine-3,5-dione IUPAC Name: 4-[[1-(4-butan-2-yloxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-phenylpyrazolidine-3,5-dione Traditional Name: 4-[[2,5-dimethyl-1-(4-sec-butoxyphenyl)pyrrol-3-yl]methylene]-1-phenyl-pyrazolidine-3,5-quinone Formula: C26H27N3O3 MolecularWeight: 429.51088

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC=C(C=C1)N2C(=CC(=C2C)C=C3C(=O)NN(C3=O)C4=CC=CC=C4)C

Isomeric SMILES

CCC(C)OC1=CC=C(C=C1)N2C(=CC(=C2C)C=C3C(=O)NN(C3=O)C4=CC=CC=C4)C

InChI

InChI=1S/C26H27N3O3/c1-5-18(3)32-23-13-11-21(12-14-23)28-17(2)15-20(19(28)4)16-24-25(30)27-29(26(24)31)22-9-7-6-8-10-22/h6-16,18H,5H2,1-4H3,(H,27,30)