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

Systemtic Name: N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-4-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]butanamide Openeye Name: N-[4-cyano-2-(4-methyl-2-quinolyl)pyrazol-3-yl]-4-(4-nitro-1,3-dioxo-isoindolin-2-yl)butanamide CAS Name: N-[4-cyano-2-(4-methyl-2-quinolinyl)-3-pyrazolyl]-4-(4-nitro-1,3-dioxo-2-isoindolyl)butanamide IUPAC Name: N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-4-(4-nitro-1,3-dioxoisoindol-2-yl)butanamide Traditional Name: N-[4-cyano-2-(4-methyl-2-quinolyl)pyrazol-3-yl]-4-(1,3-diketo-4-nitro-isoindolin-2-yl)butyramide Formula: C26H19N7O5 MolecularWeight: 509.47296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)N3C(=C(C=N3)C#N)NC(=O)CCCN4C(=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)CCCN4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H19N7O5/c1-15-12-21(29-19-8-3-2-6-17(15)19)32-24(16(13-27)14-28-32)30-22(34)10-5-11-31-25(35)18-7-4-9-20(33(37)38)23(18)26(31)36/h2-4,6-9,12,14H,5,10-11H2,1H3,(H,30,34)