3-[4-(3-chlorophenyl)piperazin-1-yl]-4-(4-methylphenyl)cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[4-(3-chlorophenyl)piperazin-1-yl]-4-(4-methylphenyl)cyclobut-3-ene-1,2-dione Openeye Name: 3-[4-(3-chlorophenyl)piperazin-1-yl]-4-(p-tolyl)cyclobut-3-ene-1,2-dione CAS Name: 3-[4-(3-chlorophenyl)-1-piperazinyl]-4-(4-methylphenyl)cyclobut-3-ene-1,2-dione IUPAC Name: 3-[4-(3-chlorophenyl)piperazin-1-yl]-4-(4-methylphenyl)cyclobut-3-ene-1,2-dione Traditional Name: 3-[4-(3-chlorophenyl)piperazino]-4-(p-tolyl)cyclobut-3-ene-1,2-quinone Formula: C21H19ClN2O2 MolecularWeight: 366.84076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN2O2/c1-14-5-7-15(8-6-14)18-19(21(26)20(18)25)24-11-9-23(10-12-24)17-4-2-3-16(22)13-17/h2-8,13H,9-12H2,1H3