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

Systemtic Name: N-[4-cyano-2-(8-methoxy-4-methyl-quinolin-2-yl)pyrazol-3-yl]-4-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]butanamide Openeye Name: N-[4-cyano-2-(8-methoxy-4-methyl-2-quinolyl)pyrazol-3-yl]-4-(4-nitro-1,3-dioxo-isoindolin-2-yl)butanamide CAS Name: N-[4-cyano-2-(8-methoxy-4-methyl-2-quinolinyl)-3-pyrazolyl]-4-(4-nitro-1,3-dioxo-2-isoindolyl)butanamide IUPAC Name: N-[4-cyano-2-(8-methoxy-4-methylquinolin-2-yl)pyrazol-3-yl]-4-(4-nitro-1,3-dioxoisoindol-2-yl)butanamide Traditional Name: N-[4-cyano-2-(8-methoxy-4-methyl-2-quinolyl)pyrazol-3-yl]-4-(1,3-diketo-4-nitro-isoindolin-2-yl)butyramide Formula: C27H21N7O6 MolecularWeight: 539.49894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=CC=C2OC)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=C1C=CC=C2OC)N3C(=C(C=N3)C#N)NC(=O)CCCN4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H21N7O6/c1-15-12-21(30-24-17(15)6-4-9-20(24)40-2)33-25(16(13-28)14-29-33)31-22(35)10-5-11-32-26(36)18-7-3-8-19(34(38)39)23(18)27(32)37/h3-4,6-9,12,14H,5,10-11H2,1-2H3,(H,31,35)