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

Systemtic Name: 3-[[4-[4-(3-methoxyphenyl)piperazin-1-yl]carbonylcyclohexyl]methylamino]-4-pyrrolidin-1-yl-cyclobut-3-ene-1,2-dione Openeye Name: 3-[[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]cyclohexyl]methylamino]-4-pyrrolidin-1-yl-cyclobut-3-ene-1,2-dione CAS Name: 3-[[4-[[4-(3-methoxyphenyl)-1-piperazinyl]-oxomethyl]cyclohexyl]methylamino]-4-(1-pyrrolidinyl)cyclobut-3-ene-1,2-dione IUPAC Name: 3-[[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]cyclohexyl]methylamino]-4-pyrrolidin-1-ylcyclobut-3-ene-1,2-dione Traditional Name: 3-[[4-[4-(3-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=CC(=C1)N2CCN(CC2)C(=O)C3CCC(CC3)CNC4=C(C(=O)C4=O)N5CCCC5

Isomeric SMILES

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

InChI

InChI=1S/C27H36N4O4/c1-35-22-6-4-5-21(17-22)29-13-15-31(16-14-29)27(34)20-9-7-19(8-10-20)18-28-23-24(26(33)25(23)32)30-11-2-3-12-30/h4-6,17,19-20,28H,2-3,7-16,18H2,1H3