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

Systemtic Name: N6-oxidanyl-N1,N1-di(quinolin-8-yl)hexane-1,1,6-tricarboxamide Openeye Name: 2-[6-(hydroxyamino)-6-oxo-hexyl]-N,N'-bis(8-quinolyl)propanediamide CAS Name: N6-hydroxy-N1,N1-bis(8-quinolinyl)hexane-1,1,6-tricarboxamide IUPAC Name: 6-N-hydroxy-1-N,1-N-di(quinolin-8-yl)hexane-1,1,6-tricarboxamide Traditional Name: 2-[6-(hydroxyamino)-6-keto-hexyl]-N,N'-bis(8-quinolyl)malonamide Formula: C27H27N5O4 MolecularWeight: 485.53438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)NC(=O)C(CCCCCC(=O)NO)C(=O)NC3=CC=CC4=C3N=CC=C4)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)NC(=O)C(CCCCCC(=O)NO)C(=O)NC3=CC=CC4=C3N=CC=C4)N=CC=C2

InChI

InChI=1S/C27H27N5O4/c33-23(32-36)15-3-1-2-12-20(26(34)30-21-13-4-8-18-10-6-16-28-24(18)21)27(35)31-22-14-5-9-19-11-7-17-29-25(19)22/h4-11,13-14,16-17,20,36H,1-3,12,15H2,(H,30,34)(H,31,35)(H,32,33)