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

Systemtic Name: 3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-phenyl-cyclobut-3-ene-1,2-dione Openeye Name: 3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-phenyl-cyclobut-3-ene-1,2-dione CAS Name: 3-[4-(2,5-dimethylphenyl)-1-piperazinyl]-4-phenylcyclobut-3-ene-1,2-dione IUPAC Name: 3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-phenylcyclobut-3-ene-1,2-dione Traditional Name: 3-[4-(2,5-dimethylphenyl)piperazino]-4-phenyl-cyclobut-3-ene-1,2-quinone Formula: C22H22N2O2 MolecularWeight: 346.42228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)C3=C(C(=O)C3=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)C3=C(C(=O)C3=O)C4=CC=CC=C4

InChI

InChI=1S/C22H22N2O2/c1-15-8-9-16(2)18(14-15)23-10-12-24(13-11-23)20-19(21(25)22(20)26)17-6-4-3-5-7-17/h3-9,14H,10-13H2,1-2H3