N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-4-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]butanamide

Systemtic Name: N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-4-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]butanamide Openeye Name: N-[4-cyano-2-(4-methyl-2-quinolyl)pyrazol-3-yl]-4-(5-nitro-1,3-dioxo-isoindolin-2-yl)butanamide CAS Name: N-[4-cyano-2-(4-methyl-2-quinolinyl)-3-pyrazolyl]-4-(5-nitro-1,3-dioxo-2-isoindolyl)butanamide IUPAC Name: N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-4-(5-nitro-1,3-dioxoisoindol-2-yl)butanamide Traditional Name: N-[4-cyano-2-(4-methyl-2-quinolyl)pyrazol-3-yl]-4-(1,3-diketo-5-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=C(C=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=C(C=C5)[N+](=O)[O-]

InChI

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