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

Systemtic Name: 2-butyl-N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: 2-butyl-N-[4-cyano-2-(4-methyl-2-quinolyl)pyrazol-3-yl]-1,3-dioxo-isoindoline-5-carboxamide CAS Name: 2-butyl-N-[4-cyano-2-(4-methyl-2-quinolinyl)-3-pyrazolyl]-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: 2-butyl-N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-1,3-dioxoisoindole-5-carboxamide Traditional Name: 2-butyl-N-[4-cyano-2-(4-methyl-2-quinolyl)pyrazol-3-yl]-1,3-diketo-isoindoline-5-carboxamide Formula: C27H22N6O3 MolecularWeight: 478.50198

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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)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)C#N

InChI

InChI=1S/C27H22N6O3/c1-3-4-11-32-26(35)20-10-9-17(13-21(20)27(32)36)25(34)31-24-18(14-28)15-29-33(24)23-12-16(2)19-7-5-6-8-22(19)30-23/h5-10,12-13,15H,3-4,11H2,1-2H3,(H,31,34)