N-[4-cyano-2-(8-methoxy-4-methyl-quinolin-2-yl)pyrazol-3-yl]-4-[5-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-[5-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-(5-nitro-1,3-dioxo-isoindolin-2-yl)butanamide CAS Name: N-[4-cyano-2-(8-methoxy-4-methyl-2-quinolinyl)-3-pyrazolyl]-4-(5-nitro-1,3-dioxo-2-isoindolyl)butanamide IUPAC Name: N-[4-cyano-2-(8-methoxy-4-methylquinolin-2-yl)pyrazol-3-yl]-4-(5-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-5-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=C(C=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=C(C=C5)[N+](=O)[O-]

InChI

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