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

Systemtic Name: N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexanamide Openeye Name: N-[4-cyano-2-(4-methyl-2-quinolyl)pyrazol-3-yl]-6-(4-nitro-1,3-dioxo-isoindolin-2-yl)hexanamide CAS Name: N-[4-cyano-2-(4-methyl-2-quinolinyl)-3-pyrazolyl]-6-(4-nitro-1,3-dioxo-2-isoindolyl)hexanamide IUPAC Name: N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanamide Traditional Name: N-[4-cyano-2-(4-methyl-2-quinolyl)pyrazol-3-yl]-6-(1,3-diketo-4-nitro-isoindolin-2-yl)hexanamide Formula: C28H23N7O5 MolecularWeight: 537.52612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)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=CC=CC=C12)N3C(=C(C=N3)C#N)NC(=O)CCCCCN4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H23N7O5/c1-17-14-23(31-21-10-5-4-8-19(17)21)34-26(18(15-29)16-30-34)32-24(36)12-3-2-6-13-33-27(37)20-9-7-11-22(35(39)40)25(20)28(33)38/h4-5,7-11,14,16H,2-3,6,12-13H2,1H3,(H,32,36)