N6-oxidanyl-1-phenyl-N1,N1-di(quinolin-8-yl)hexane-1,1,6-tricarboxamide

Systemtic Name: N6-oxidanyl-1-phenyl-N1,N1-di(quinolin-8-yl)hexane-1,1,6-tricarboxamide Openeye Name: 2-[6-(hydroxyamino)-6-oxo-hexyl]-2-phenyl-N,N'-bis(8-quinolyl)propanediamide CAS Name: N6-hydroxy-1-phenyl-N1,N1-bis(8-quinolinyl)hexane-1,1,6-tricarboxamide IUPAC Name: 6-N-hydroxy-1-phenyl-1-N,1-N-di(quinolin-8-yl)hexane-1,1,6-tricarboxamide Traditional Name: 2-[6-(hydroxyamino)-6-keto-hexyl]-2-phenyl-N,N'-bis(8-quinolyl)malonamide Formula: C33H31N5O4 MolecularWeight: 561.63034

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCCCCC(=O)NO)(C(=O)NC2=CC=CC3=C2N=CC=C3)C(=O)NC4=CC=CC5=C4N=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(CCCCCC(=O)NO)(C(=O)NC2=CC=CC3=C2N=CC=C3)C(=O)NC4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C33H31N5O4/c39-28(38-42)19-5-2-6-20-33(25-15-3-1-4-16-25,31(40)36-26-17-7-11-23-13-9-21-34-29(23)26)32(41)37-27-18-8-12-24-14-10-22-35-30(24)27/h1,3-4,7-18,21-22,42H,2,5-6,19-20H2,(H,36,40)(H,37,41)(H,38,39)