3-(4-methylphenyl)-4-[[2-(4-methylpiperazin-1-yl)phenyl]amino]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-(4-methylphenyl)-4-[[2-(4-methylpiperazin-1-yl)phenyl]amino]cyclobut-3-ene-1,2-dione Openeye Name: 3-[2-(4-methylpiperazin-1-yl)anilino]-4-(p-tolyl)cyclobut-3-ene-1,2-dione CAS Name: 3-(4-methylphenyl)-4-[2-(4-methyl-1-piperazinyl)anilino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-(4-methylphenyl)-4-[2-(4-methylpiperazin-1-yl)anilino]cyclobut-3-ene-1,2-dione Traditional Name: 3-[2-(4-methylpiperazino)anilino]-4-(p-tolyl)cyclobut-3-ene-1,2-quinone Formula: C22H23N3O2 MolecularWeight: 361.43692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=O)C2=O)NC3=CC=CC=C3N4CCN(CC4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=O)C2=O)NC3=CC=CC=C3N4CCN(CC4)C

InChI

InChI=1S/C22H23N3O2/c1-15-7-9-16(10-8-15)19-20(22(27)21(19)26)23-17-5-3-4-6-18(17)25-13-11-24(2)12-14-25/h3-10,23H,11-14H2,1-2H3