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

Systemtic Name: 3-[4-(3-chlorophenyl)piperazin-1-yl]-4-(3,4-dimethylphenyl)cyclobut-3-ene-1,2-dione Openeye Name: 3-[4-(3-chlorophenyl)piperazin-1-yl]-4-(3,4-dimethylphenyl)cyclobut-3-ene-1,2-dione CAS Name: 3-[4-(3-chlorophenyl)-1-piperazinyl]-4-(3,4-dimethylphenyl)cyclobut-3-ene-1,2-dione IUPAC Name: 3-[4-(3-chlorophenyl)piperazin-1-yl]-4-(3,4-dimethylphenyl)cyclobut-3-ene-1,2-dione Traditional Name: 3-[4-(3-chlorophenyl)piperazino]-4-(3,4-dimethylphenyl)cyclobut-3-ene-1,2-quinone Formula: C22H21ClN2O2 MolecularWeight: 380.86734

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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=C4)Cl)C

Isomeric SMILES

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

InChI

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