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

Systemtic Name: 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-phenyl-cyclobut-3-ene-1,2-dione Openeye Name: 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-phenyl-cyclobut-3-ene-1,2-dione CAS Name: 3-[4-(2,3-dimethylphenyl)-1-piperazinyl]-4-phenylcyclobut-3-ene-1,2-dione IUPAC Name: 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-phenylcyclobut-3-ene-1,2-dione Traditional Name: 3-[4-(2,3-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=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=O)C3=O)C4=CC=CC=C4)C

Isomeric SMILES

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

InChI

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