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

Systemtic Name: 4-[[1-(4-butylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-1-phenyl-pyrazolidine-3,5-dione Openeye Name: 4-[[1-(4-butylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-1-phenyl-pyrazolidine-3,5-dione CAS Name: 4-[[1-(4-butylphenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-1-phenylpyrazolidine-3,5-dione IUPAC Name: 4-[[1-(4-butylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-phenylpyrazolidine-3,5-dione Traditional Name: 4-[[1-(4-butylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-1-phenyl-pyrazolidine-3,5-quinone Formula: C26H27N3O2 MolecularWeight: 413.51148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=CC(=C2C)C=C3C(=O)NN(C3=O)C4=CC=CC=C4)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=CC(=C2C)C=C3C(=O)NN(C3=O)C4=CC=CC=C4)C

InChI

InChI=1S/C26H27N3O2/c1-4-5-9-20-12-14-22(15-13-20)28-18(2)16-21(19(28)3)17-24-25(30)27-29(26(24)31)23-10-7-6-8-11-23/h6-8,10-17H,4-5,9H2,1-3H3,(H,27,30)