3-(4-cyclohexylpiperazin-1-yl)-4-(3,4-dimethylphenyl)cyclobut-3-ene-1,2-dione

Systemtic Name: 3-(4-cyclohexylpiperazin-1-yl)-4-(3,4-dimethylphenyl)cyclobut-3-ene-1,2-dione Openeye Name: 3-(4-cyclohexylpiperazin-1-yl)-4-(3,4-dimethylphenyl)cyclobut-3-ene-1,2-dione CAS Name: 3-(4-cyclohexyl-1-piperazinyl)-4-(3,4-dimethylphenyl)cyclobut-3-ene-1,2-dione IUPAC Name: 3-(4-cyclohexylpiperazin-1-yl)-4-(3,4-dimethylphenyl)cyclobut-3-ene-1,2-dione Traditional Name: 3-(4-cyclohexylpiperazino)-4-(3,4-dimethylphenyl)cyclobut-3-ene-1,2-quinone Formula: C22H28N2O2 MolecularWeight: 352.46992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(C(=O)C2=O)N3CCN(CC3)C4CCCCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(C(=O)C2=O)N3CCN(CC3)C4CCCCC4)C

InChI

InChI=1S/C22H28N2O2/c1-15-8-9-17(14-16(15)2)19-20(22(26)21(19)25)24-12-10-23(11-13-24)18-6-4-3-5-7-18/h8-9,14,18H,3-7,10-13H2,1-2H3