3-(3,4-dimethylphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)cyclobut-3-ene-1,2-dione

Systemtic Name: 3-(3,4-dimethylphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)cyclobut-3-ene-1,2-dione Openeye Name: 3-(3,4-dimethylphenyl)-4-[4-(2-pyridyl)piperazin-1-yl]cyclobut-3-ene-1,2-dione CAS Name: 3-(3,4-dimethylphenyl)-4-[4-(2-pyridinyl)-1-piperazinyl]cyclobut-3-ene-1,2-dione IUPAC Name: 3-(3,4-dimethylphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)cyclobut-3-ene-1,2-dione Traditional Name: 3-(3,4-dimethylphenyl)-4-[4-(2-pyridyl)piperazino]cyclobut-3-ene-1,2-quinone Formula: C21H21N3O2 MolecularWeight: 347.41034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(C(=O)C2=O)N3CCN(CC3)C4=CC=CC=N4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(C(=O)C2=O)N3CCN(CC3)C4=CC=CC=N4)C

InChI

InChI=1S/C21H21N3O2/c1-14-6-7-16(13-15(14)2)18-19(21(26)20(18)25)24-11-9-23(10-12-24)17-5-3-4-8-22-17/h3-8,13H,9-12H2,1-2H3