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

Systemtic Name: N-(4-cyano-2-quinolin-2-yl-pyrazol-3-yl)-2-(4-fluorophenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: N-[4-cyano-2-(2-quinolyl)pyrazol-3-yl]-2-(4-fluorophenyl)-1,3-dioxo-isoindoline-5-carboxamide CAS Name: N-[4-cyano-2-(2-quinolinyl)-3-pyrazolyl]-2-(4-fluorophenyl)-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: N-(4-cyano-2-quinolin-2-ylpyrazol-3-yl)-2-(4-fluorophenyl)-1,3-dioxoisoindole-5-carboxamide Traditional Name: N-[4-cyano-2-(2-quinolyl)pyrazol-3-yl]-2-(4-fluorophenyl)-1,3-diketo-isoindoline-5-carboxamide Formula: C28H15FN6O3 MolecularWeight: 502.455503

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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)C4=CC5=C(C=C4)C(=O)N(C5=O)C6=CC=C(C=C6)F

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)N3C(=C(C=N3)C#N)NC(=O)C4=CC5=C(C=C4)C(=O)N(C5=O)C6=CC=C(C=C6)F

InChI

InChI=1S/C28H15FN6O3/c29-19-7-9-20(10-8-19)34-27(37)21-11-5-17(13-22(21)28(34)38)26(36)33-25-18(14-30)15-31-35(25)24-12-6-16-3-1-2-4-23(16)32-24/h1-13,15H,(H,33,36)