3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-4-(4-methylphenyl)cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-4-(4-methylphenyl)cyclobut-3-ene-1,2-dione Openeye Name: 3-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-4-(p-tolyl)cyclobut-3-ene-1,2-dione CAS Name: 3-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-4-(4-methylphenyl)cyclobut-3-ene-1,2-dione IUPAC Name: 3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-4-(4-methylphenyl)cyclobut-3-ene-1,2-dione Traditional Name: 3-[4-(5-chloro-2-methyl-phenyl)piperazino]-4-(p-tolyl)cyclobut-3-ene-1,2-quinone Formula: C22H21ClN2O2 MolecularWeight: 380.86734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN2O2/c1-14-3-6-16(7-4-14)19-20(22(27)21(19)26)25-11-9-24(10-12-25)18-13-17(23)8-5-15(18)2/h3-8,13H,9-12H2,1-2H3