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

Systemtic Name: 2-butyl-N-(4-cyano-2-quinolin-2-yl-pyrazol-3-yl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: 2-butyl-N-[4-cyano-2-(2-quinolyl)pyrazol-3-yl]-1,3-dioxo-isoindoline-5-carboxamide CAS Name: 2-butyl-N-[4-cyano-2-(2-quinolinyl)-3-pyrazolyl]-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: 2-butyl-N-(4-cyano-2-quinolin-2-ylpyrazol-3-yl)-1,3-dioxoisoindole-5-carboxamide Traditional Name: 2-butyl-N-[4-cyano-2-(2-quinolyl)pyrazol-3-yl]-1,3-diketo-isoindoline-5-carboxamide Formula: C26H20N6O3 MolecularWeight: 464.4754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=C(C=NN3C4=NC5=CC=CC=C5C=C4)C#N

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=C(C=NN3C4=NC5=CC=CC=C5C=C4)C#N

InChI

InChI=1S/C26H20N6O3/c1-2-3-12-31-25(34)19-10-8-17(13-20(19)26(31)35)24(33)30-23-18(14-27)15-28-32(23)22-11-9-16-6-4-5-7-21(16)29-22/h4-11,13,15H,2-3,12H2,1H3,(H,30,33)