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

Systemtic Name: N-(4-cyano-2-quinolin-2-yl-pyrazol-3-yl)-1,3-bis(oxidanylidene)-2-propan-2-yl-isoindole-5-carboxamide Openeye Name: N-[4-cyano-2-(2-quinolyl)pyrazol-3-yl]-2-isopropyl-1,3-dioxo-isoindoline-5-carboxamide CAS Name: N-[4-cyano-2-(2-quinolinyl)-3-pyrazolyl]-1,3-dioxo-2-propan-2-yl-5-isoindolecarboxamide IUPAC Name: N-(4-cyano-2-quinolin-2-ylpyrazol-3-yl)-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide Traditional Name: N-[4-cyano-2-(2-quinolyl)pyrazol-3-yl]-2-isopropyl-1,3-diketo-isoindoline-5-carboxamide Formula: C25H18N6O3 MolecularWeight: 450.44882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=C(C=NN3C4=NC5=CC=CC=C5C=C4)C#N

Isomeric SMILES

CC(C)N1C(=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/C25H18N6O3/c1-14(2)30-24(33)18-9-7-16(11-19(18)25(30)34)23(32)29-22-17(12-26)13-27-31(22)21-10-8-15-5-3-4-6-20(15)28-21/h3-11,13-14H,1-2H3,(H,29,32)