3-[4-(4-ethanoylphenyl)piperazin-1-yl]-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[4-(4-ethanoylphenyl)piperazin-1-yl]-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione Openeye Name: 3-[4-(4-acetylphenyl)piperazin-1-yl]-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione CAS Name: 3-[4-(4-acetylphenyl)-1-piperazinyl]-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione IUPAC Name: 3-[4-(4-acetylphenyl)piperazin-1-yl]-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione Traditional Name: 3-[4-(4-acetylphenyl)piperazino]-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-quinone Formula: C25H26N2O3 MolecularWeight: 402.48554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=C(C(=O)C2=O)N3CCN(CC3)C4=CC=C(C=C4)C(=O)C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C2=C(C(=O)C2=O)N3CCN(CC3)C4=CC=C(C=C4)C(=O)C)C)C

InChI

InChI=1S/C25H26N2O3/c1-15-13-17(3)21(14-16(15)2)22-23(25(30)24(22)29)27-11-9-26(10-12-27)20-7-5-19(6-8-20)18(4)28/h5-8,13-14H,9-12H2,1-4H3