4-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(4-cyano-2-quinolin-2-yl-pyrazol-3-yl)butanamide

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(4-cyano-2-quinolin-2-yl-pyrazol-3-yl)butanamide Openeye Name: N-[4-cyano-2-(2-quinolyl)pyrazol-3-yl]-4-(1,3-dioxoisoindolin-2-yl)butanamide CAS Name: N-[4-cyano-2-(2-quinolinyl)-3-pyrazolyl]-4-(1,3-dioxo-2-isoindolyl)butanamide IUPAC Name: N-(4-cyano-2-quinolin-2-ylpyrazol-3-yl)-4-(1,3-dioxoisoindol-2-yl)butanamide Traditional Name: N-[4-cyano-2-(2-quinolyl)pyrazol-3-yl]-4-phthalimido-butyramide Formula: C25H18N6O3 MolecularWeight: 450.44882

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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)CCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)N3C(=C(C=N3)C#N)NC(=O)CCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C25H18N6O3/c26-14-17-15-27-31(21-12-11-16-6-1-4-9-20(16)28-21)23(17)29-22(32)10-5-13-30-24(33)18-7-2-3-8-19(18)25(30)34/h1-4,6-9,11-12,15H,5,10,13H2,(H,29,32)