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

Systemtic Name: 3-(3,4-dimethylphenyl)-4-[4-(phenylmethyl)piperazin-1-yl]cyclobut-3-ene-1,2-dione Openeye Name: 3-(4-benzylpiperazin-1-yl)-4-(3,4-dimethylphenyl)cyclobut-3-ene-1,2-dione CAS Name: 3-(3,4-dimethylphenyl)-4-[4-(phenylmethyl)-1-piperazinyl]cyclobut-3-ene-1,2-dione IUPAC Name: 3-(4-benzylpiperazin-1-yl)-4-(3,4-dimethylphenyl)cyclobut-3-ene-1,2-dione Traditional Name: 3-(4-benzylpiperazino)-4-(3,4-dimethylphenyl)cyclobut-3-ene-1,2-quinone Formula: C23H24N2O2 MolecularWeight: 360.44886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(C(=O)C2=O)N3CCN(CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(C(=O)C2=O)N3CCN(CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C23H24N2O2/c1-16-8-9-19(14-17(16)2)20-21(23(27)22(20)26)25-12-10-24(11-13-25)15-18-6-4-3-5-7-18/h3-9,14H,10-13,15H2,1-2H3