4-[3-(4-butylphenyl)-3-oxidanylidene-propyl]-1,2-diphenyl-pyrazolidine-3,5-dione

Systemtic Name: 4-[3-(4-butylphenyl)-3-oxidanylidene-propyl]-1,2-diphenyl-pyrazolidine-3,5-dione Openeye Name: 4-[3-(4-butylphenyl)-3-oxo-propyl]-1,2-diphenyl-pyrazolidine-3,5-dione CAS Name: 4-[3-(4-butylphenyl)-3-oxopropyl]-1,2-diphenylpyrazolidine-3,5-dione IUPAC Name: 4-[3-(4-butylphenyl)-3-oxopropyl]-1,2-diphenylpyrazolidine-3,5-dione Traditional Name: 4-[3-(4-butylphenyl)-3-keto-propyl]-1,2-diphenyl-pyrazolidine-3,5-quinone Formula: C28H28N2O3 MolecularWeight: 440.53352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)CCC2C(=O)N(N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)CCC2C(=O)N(N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H28N2O3/c1-2-3-10-21-15-17-22(18-16-21)26(31)20-19-25-27(32)29(23-11-6-4-7-12-23)30(28(25)33)24-13-8-5-9-14-24/h4-9,11-18,25H,2-3,10,19-20H2,1H3