N6-oxidanyl-N1,N1-di(quinolin-5-yl)hexane-1,1,6-tricarboxamide

Systemtic Name: N6-oxidanyl-N1,N1-di(quinolin-5-yl)hexane-1,1,6-tricarboxamide Openeye Name: 2-[6-(hydroxyamino)-6-oxo-hexyl]-N,N'-bis(5-quinolyl)propanediamide CAS Name: N6-hydroxy-N1,N1-bis(5-quinolinyl)hexane-1,1,6-tricarboxamide IUPAC Name: 6-N-hydroxy-1-N,1-N-di(quinolin-5-yl)hexane-1,1,6-tricarboxamide Traditional Name: 2-[6-(hydroxyamino)-6-keto-hexyl]-N,N'-bis(5-quinolyl)malonamide Formula: C27H27N5O4 MolecularWeight: 485.53438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC=N2)C(=C1)NC(=O)C(CCCCCC(=O)NO)C(=O)NC3=CC=CC4=C3C=CC=N4

Isomeric SMILES

C1=CC2=C(C=CC=N2)C(=C1)NC(=O)C(CCCCCC(=O)NO)C(=O)NC3=CC=CC4=C3C=CC=N4

InChI

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