3-[[2-oxidanyl-3-(4-pyridin-2-ylcarbonylpiperazin-1-yl)carbonyl-phenyl]amino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[[2-oxidanyl-3-(4-pyridin-2-ylcarbonylpiperazin-1-yl)carbonyl-phenyl]amino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione Openeye Name: 3-[2-hydroxy-3-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione CAS Name: 3-[2-hydroxy-3-[oxo-[4-[oxo(2-pyridinyl)methyl]-1-piperazinyl]methyl]anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-[2-hydroxy-3-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione Traditional Name: 3-[2-hydroxy-3-(4-picolinoylpiperazine-1-carbonyl)anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-quinone Formula: C30H29N5O5 MolecularWeight: 539.58176

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)NC2=C(C(=O)C2=O)NC3=CC=CC(=C3O)C(=O)N4CCN(CC4)C(=O)C5=CC=CC=N5

Isomeric SMILES

CC[C@H](C1=CC=CC=C1)NC2=C(C(=O)C2=O)NC3=CC=CC(=C3O)C(=O)N4CCN(CC4)C(=O)C5=CC=CC=N5

InChI

InChI=1S/C30H29N5O5/c1-2-21(19-9-4-3-5-10-19)32-24-25(28(38)27(24)37)33-22-13-8-11-20(26(22)36)29(39)34-15-17-35(18-16-34)30(40)23-12-6-7-14-31-23/h3-14,21,32-33,36H,2,15-18H2,1H3/t21-/m1/s1