N-[4-cyano-2-(8-methoxy-4-methyl-quinolin-2-yl)pyrazol-3-yl]-6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexanamide

Systemtic Name: N-[4-cyano-2-(8-methoxy-4-methyl-quinolin-2-yl)pyrazol-3-yl]-6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexanamide Openeye Name: N-[4-cyano-2-(8-methoxy-4-methyl-2-quinolyl)pyrazol-3-yl]-6-(4-nitro-1,3-dioxo-isoindolin-2-yl)hexanamide CAS Name: N-[4-cyano-2-(8-methoxy-4-methyl-2-quinolinyl)-3-pyrazolyl]-6-(4-nitro-1,3-dioxo-2-isoindolyl)hexanamide IUPAC Name: N-[4-cyano-2-(8-methoxy-4-methylquinolin-2-yl)pyrazol-3-yl]-6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanamide Traditional Name: N-[4-cyano-2-(8-methoxy-4-methyl-2-quinolyl)pyrazol-3-yl]-6-(1,3-diketo-4-nitro-isoindolin-2-yl)hexanamide Formula: C29H25N7O6 MolecularWeight: 567.5521

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=CC=C2OC)N3C(=C(C=N3)C#N)NC(=O)CCCCCN4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NC2=C1C=CC=C2OC)N3C(=C(C=N3)C#N)NC(=O)CCCCCN4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C29H25N7O6/c1-17-14-23(32-26-19(17)8-7-11-22(26)42-2)35-27(18(15-30)16-31-35)33-24(37)12-4-3-5-13-34-28(38)20-9-6-10-21(36(40)41)25(20)29(34)39/h6-11,14,16H,3-5,12-13H2,1-2H3,(H,33,37)