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

Systemtic Name: 3-[[4-[4-(4-chlorophenyl)piperazin-1-yl]carbonylcyclohexyl]methylamino]-4-pyrrolidin-1-yl-cyclobut-3-ene-1,2-dione Openeye Name: 3-[[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]cyclohexyl]methylamino]-4-pyrrolidin-1-yl-cyclobut-3-ene-1,2-dione CAS Name: 3-[[4-[[4-(4-chlorophenyl)-1-piperazinyl]-oxomethyl]cyclohexyl]methylamino]-4-(1-pyrrolidinyl)cyclobut-3-ene-1,2-dione IUPAC Name: 3-[[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]cyclohexyl]methylamino]-4-pyrrolidin-1-ylcyclobut-3-ene-1,2-dione Traditional Name: 3-[[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]cyclohexyl]methylamino]-4-pyrrolidino-cyclobut-3-ene-1,2-quinone Formula: C26H33ClN4O3 MolecularWeight: 485.01822

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C(=O)C2=O)NCC3CCC(CC3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CCN(C1)C2=C(C(=O)C2=O)NCC3CCC(CC3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C26H33ClN4O3/c27-20-7-9-21(10-8-20)29-13-15-31(16-14-29)26(34)19-5-3-18(4-6-19)17-28-22-23(25(33)24(22)32)30-11-1-2-12-30/h7-10,18-19,28H,1-6,11-17H2