N6-oxidanyl-N1,N1-di(quinolin-3-yl)hexane-1,1,6-tricarboxamide

Systemtic Name: N6-oxidanyl-N1,N1-di(quinolin-3-yl)hexane-1,1,6-tricarboxamide Openeye Name: 2-[6-(hydroxyamino)-6-oxo-hexyl]-N,N'-bis(3-quinolyl)propanediamide CAS Name: N6-hydroxy-N1,N1-bis(3-quinolinyl)hexane-1,1,6-tricarboxamide IUPAC Name: 6-N-hydroxy-1-N,1-N-di(quinolin-3-yl)hexane-1,1,6-tricarboxamide Traditional Name: 2-[6-(hydroxyamino)-6-keto-hexyl]-N,N'-bis(3-quinolyl)malonamide Formula: C27H27N5O4 MolecularWeight: 485.53438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C=N2)NC(=O)C(CCCCCC(=O)NO)C(=O)NC3=CC4=CC=CC=C4N=C3

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C=N2)NC(=O)C(CCCCCC(=O)NO)C(=O)NC3=CC4=CC=CC=C4N=C3

InChI

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