N-(4-cyano-2-quinolin-2-yl-pyrazol-3-yl)-1,3-bis(oxidanylidene)-2-phenyl-isoindole-5-carboxamide

Systemtic Name: N-(4-cyano-2-quinolin-2-yl-pyrazol-3-yl)-1,3-bis(oxidanylidene)-2-phenyl-isoindole-5-carboxamide Openeye Name: N-[4-cyano-2-(2-quinolyl)pyrazol-3-yl]-1,3-dioxo-2-phenyl-isoindoline-5-carboxamide CAS Name: N-[4-cyano-2-(2-quinolinyl)-3-pyrazolyl]-1,3-dioxo-2-phenyl-5-isoindolecarboxamide IUPAC Name: N-(4-cyano-2-quinolin-2-ylpyrazol-3-yl)-1,3-dioxo-2-phenylisoindole-5-carboxamide Traditional Name: N-[4-cyano-2-(2-quinolyl)pyrazol-3-yl]-1,3-diketo-2-phenyl-isoindoline-5-carboxamide Formula: C28H16N6O3 MolecularWeight: 484.46504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=C(C=NN4C5=NC6=CC=CC=C6C=C5)C#N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=C(C=NN4C5=NC6=CC=CC=C6C=C5)C#N

InChI

InChI=1S/C28H16N6O3/c29-15-19-16-30-34(24-13-11-17-6-4-5-9-23(17)31-24)25(19)32-26(35)18-10-12-21-22(14-18)28(37)33(27(21)36)20-7-2-1-3-8-20/h1-14,16H,(H,32,35)