3-piperidin-1-yl-4-[[4-(4-pyridin-2-ylpiperazin-1-yl)carbonylphenyl]methylamino]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-piperidin-1-yl-4-[[4-(4-pyridin-2-ylpiperazin-1-yl)carbonylphenyl]methylamino]cyclobut-3-ene-1,2-dione Openeye Name: 3-(1-piperidyl)-4-[[4-[4-(2-pyridyl)piperazine-1-carbonyl]phenyl]methylamino]cyclobut-3-ene-1,2-dione CAS Name: 3-[[4-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]phenyl]methylamino]-4-(1-piperidinyl)cyclobut-3-ene-1,2-dione IUPAC Name: 3-piperidin-1-yl-4-[[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methylamino]cyclobut-3-ene-1,2-dione Traditional Name: 3-piperidino-4-[[4-[4-(2-pyridyl)piperazine-1-carbonyl]benzyl]amino]cyclobut-3-ene-1,2-quinone Formula: C26H29N5O3 MolecularWeight: 459.54016

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C(=O)C2=O)NCC3=CC=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

C1CCN(CC1)C2=C(C(=O)C2=O)NCC3=CC=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C26H29N5O3/c32-24-22(23(25(24)33)30-12-4-1-5-13-30)28-18-19-7-9-20(10-8-19)26(34)31-16-14-29(15-17-31)21-6-2-3-11-27-21/h2-3,6-11,28H,1,4-5,12-18H2