N-propyl-N'-[1,3,4-tris(oxidanylidene)isoquinolin-6-yl]butanediamide

Systemtic Name: N-propyl-N'-[1,3,4-tris(oxidanylidene)isoquinolin-6-yl]butanediamide Openeye Name: N-propyl-N'-(1,3,4-trioxo-6-isoquinolyl)butanediamide CAS Name: N-propyl-N'-(1,3,4-trioxo-6-isoquinolinyl)butanediamide IUPAC Name: N-propyl-N'-(1,3,4-trioxoisoquinolin-6-yl)butanediamide Traditional Name: N-propyl-N'-(1,3,4-triketo-6-isoquinolyl)succinamide Formula: C16H17N3O5 MolecularWeight: 331.32328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CCC(=O)NC1=CC2=C(C=C1)C(=O)NC(=O)C2=O

Isomeric SMILES

CCCNC(=O)CCC(=O)NC1=CC2=C(C=C1)C(=O)NC(=O)C2=O

InChI

InChI=1S/C16H17N3O5/c1-2-7-17-12(20)5-6-13(21)18-9-3-4-10-11(8-9)14(22)16(24)19-15(10)23/h3-4,8H,2,5-7H2,1H3,(H,17,20)(H,18,21)(H,19,23,24)