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

Systemtic Name: 3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-4-phenyl-cyclobut-3-ene-1,2-dione Openeye Name: 3-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-4-phenyl-cyclobut-3-ene-1,2-dione CAS Name: 3-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-4-phenylcyclobut-3-ene-1,2-dione IUPAC Name: 3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-4-phenylcyclobut-3-ene-1,2-dione Traditional Name: 3-[4-(5-chloro-2-methyl-phenyl)piperazino]-4-phenyl-cyclobut-3-ene-1,2-quinone Formula: C21H19ClN2O2 MolecularWeight: 366.84076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C3=C(C(=O)C3=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C3=C(C(=O)C3=O)C4=CC=CC=C4

InChI

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