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

Systemtic Name: 3-[[4-[4-(3-chlorophenyl)piperazin-1-yl]carbonylcyclohexyl]methylamino]-4-pyrrolidin-1-yl-cyclobut-3-ene-1,2-dione Openeye Name: 3-[[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]cyclohexyl]methylamino]-4-pyrrolidin-1-yl-cyclobut-3-ene-1,2-dione CAS Name: 3-[[4-[[4-(3-chlorophenyl)-1-piperazinyl]-oxomethyl]cyclohexyl]methylamino]-4-(1-pyrrolidinyl)cyclobut-3-ene-1,2-dione IUPAC Name: 3-[[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]cyclohexyl]methylamino]-4-pyrrolidin-1-ylcyclobut-3-ene-1,2-dione Traditional Name: 3-[[4-[4-(3-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(=CC=C5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H33ClN4O3/c27-20-4-3-5-21(16-20)29-12-14-31(15-13-29)26(34)19-8-6-18(7-9-19)17-28-22-23(25(33)24(22)32)30-10-1-2-11-30/h3-5,16,18-19,28H,1-2,6-15,17H2