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

Systemtic Name: N-(4-cyano-2-quinolin-2-yl-pyrazol-3-yl)-6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexanamide Openeye Name: N-[4-cyano-2-(2-quinolyl)pyrazol-3-yl]-6-(4-nitro-1,3-dioxo-isoindolin-2-yl)hexanamide CAS Name: N-[4-cyano-2-(2-quinolinyl)-3-pyrazolyl]-6-(4-nitro-1,3-dioxo-2-isoindolyl)hexanamide IUPAC Name: N-(4-cyano-2-quinolin-2-ylpyrazol-3-yl)-6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanamide Traditional Name: N-[4-cyano-2-(2-quinolyl)pyrazol-3-yl]-6-(1,3-diketo-4-nitro-isoindolin-2-yl)hexanamide Formula: C27H21N7O5 MolecularWeight: 523.49954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)N3C(=C(C=N3)C#N)NC(=O)CCCCCN4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)N3C(=C(C=N3)C#N)NC(=O)CCCCCN4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H21N7O5/c28-15-18-16-29-33(22-13-12-17-7-3-4-9-20(17)30-22)25(18)31-23(35)11-2-1-5-14-32-26(36)19-8-6-10-21(34(38)39)24(19)27(32)37/h3-4,6-10,12-13,16H,1-2,5,11,14H2,(H,31,35)