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

Systemtic Name: 3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-4-(3,4-dimethylphenyl)cyclobut-3-ene-1,2-dione Openeye Name: 3-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-4-(3,4-dimethylphenyl)cyclobut-3-ene-1,2-dione CAS Name: 3-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-4-(3,4-dimethylphenyl)cyclobut-3-ene-1,2-dione IUPAC Name: 3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-4-(3,4-dimethylphenyl)cyclobut-3-ene-1,2-dione Traditional Name: 3-[4-(5-chloro-2-methyl-phenyl)piperazino]-4-(3,4-dimethylphenyl)cyclobut-3-ene-1,2-quinone Formula: C23H23ClN2O2 MolecularWeight: 394.89392

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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=C(C=CC(=C4)Cl)C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H23ClN2O2/c1-14-4-6-17(12-16(14)3)20-21(23(28)22(20)27)26-10-8-25(9-11-26)19-13-18(24)7-5-15(19)2/h4-7,12-13H,8-11H2,1-3H3