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

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(4-cyano-2-quinolin-2-yl-pyrazol-3-yl)-3-methyl-pentanamide Openeye Name: N-[4-cyano-2-(2-quinolyl)pyrazol-3-yl]-2-(1,3-dioxoisoindolin-2-yl)-3-methyl-pentanamide CAS Name: N-[4-cyano-2-(2-quinolinyl)-3-pyrazolyl]-2-(1,3-dioxo-2-isoindolyl)-3-methylpentanamide IUPAC Name: N-(4-cyano-2-quinolin-2-ylpyrazol-3-yl)-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide Traditional Name: N-[4-cyano-2-(2-quinolyl)pyrazol-3-yl]-3-methyl-2-phthalimido-valeramide Formula: C27H22N6O3 MolecularWeight: 478.50198

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=C(C=NN1C2=NC3=CC=CC=C3C=C2)C#N)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CCC(C)C(C(=O)NC1=C(C=NN1C2=NC3=CC=CC=C3C=C2)C#N)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C27H22N6O3/c1-3-16(2)23(32-26(35)19-9-5-6-10-20(19)27(32)36)25(34)31-24-18(14-28)15-29-33(24)22-13-12-17-8-4-7-11-21(17)30-22/h4-13,15-16,23H,3H2,1-2H3,(H,31,34)