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

Systemtic Name: 3-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]carbonylcyclohexyl]methylamino]-4-pyrrolidin-1-yl-cyclobut-3-ene-1,2-dione Openeye Name: 3-[[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]cyclohexyl]methylamino]-4-pyrrolidin-1-yl-cyclobut-3-ene-1,2-dione CAS Name: 3-[[4-[[4-(4-methoxyphenyl)-1-piperazinyl]-oxomethyl]cyclohexyl]methylamino]-4-(1-pyrrolidinyl)cyclobut-3-ene-1,2-dione IUPAC Name: 3-[[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]cyclohexyl]methylamino]-4-pyrrolidin-1-ylcyclobut-3-ene-1,2-dione Traditional Name: 3-[[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]cyclohexyl]methylamino]-4-pyrrolidino-cyclobut-3-ene-1,2-quinone Formula: C27H36N4O4 MolecularWeight: 480.59914

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3CCC(CC3)CNC4=C(C(=O)C4=O)N5CCCC5

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3CCC(CC3)CNC4=C(C(=O)C4=O)N5CCCC5

InChI

InChI=1S/C27H36N4O4/c1-35-22-10-8-21(9-11-22)29-14-16-31(17-15-29)27(34)20-6-4-19(5-7-20)18-28-23-24(26(33)25(23)32)30-12-2-3-13-30/h8-11,19-20,28H,2-7,12-18H2,1H3