3-[[4-[4-(2,5-dimethylphenyl)piperazin-1-yl]carbonylcyclohexyl]methylamino]-4-pyrrolidin-1-yl-cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[[4-[4-(2,5-dimethylphenyl)piperazin-1-yl]carbonylcyclohexyl]methylamino]-4-pyrrolidin-1-yl-cyclobut-3-ene-1,2-dione Openeye Name: 3-[[4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]cyclohexyl]methylamino]-4-pyrrolidin-1-yl-cyclobut-3-ene-1,2-dione CAS Name: 3-[[4-[[4-(2,5-dimethylphenyl)-1-piperazinyl]-oxomethyl]cyclohexyl]methylamino]-4-(1-pyrrolidinyl)cyclobut-3-ene-1,2-dione IUPAC Name: 3-[[4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]cyclohexyl]methylamino]-4-pyrrolidin-1-ylcyclobut-3-ene-1,2-dione Traditional Name: 3-[[4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]cyclohexyl]methylamino]-4-pyrrolidino-cyclobut-3-ene-1,2-quinone Formula: C28H38N4O3 MolecularWeight: 478.62632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3CCC(CC3)CNC4=C(C(=O)C4=O)N5CCCC5

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3CCC(CC3)CNC4=C(C(=O)C4=O)N5CCCC5

InChI

InChI=1S/C28H38N4O3/c1-19-5-6-20(2)23(17-19)30-13-15-32(16-14-30)28(35)22-9-7-21(8-10-22)18-29-24-25(27(34)26(24)33)31-11-3-4-12-31/h5-6,17,21-22,29H,3-4,7-16,18H2,1-2H3