N-[4-cyano-2-(8-methoxy-4-methyl-quinolin-2-yl)pyrazol-3-yl]-1,3-bis(oxidanylidene)-2-(phenylmethyl)isoindole-5-carboxamide

Systemtic Name: N-[4-cyano-2-(8-methoxy-4-methyl-quinolin-2-yl)pyrazol-3-yl]-1,3-bis(oxidanylidene)-2-(phenylmethyl)isoindole-5-carboxamide Openeye Name: 2-benzyl-N-[4-cyano-2-(8-methoxy-4-methyl-2-quinolyl)pyrazol-3-yl]-1,3-dioxo-isoindoline-5-carboxamide CAS Name: N-[4-cyano-2-(8-methoxy-4-methyl-2-quinolinyl)-3-pyrazolyl]-1,3-dioxo-2-(phenylmethyl)-5-isoindolecarboxamide IUPAC Name: 2-benzyl-N-[4-cyano-2-(8-methoxy-4-methylquinolin-2-yl)pyrazol-3-yl]-1,3-dioxoisoindole-5-carboxamide Traditional Name: 2-benzyl-N-[4-cyano-2-(8-methoxy-4-methyl-2-quinolyl)pyrazol-3-yl]-1,3-diketo-isoindoline-5-carboxamide Formula: C31H22N6O4 MolecularWeight: 542.54418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=CC=C2OC)N3C(=C(C=N3)C#N)NC(=O)C4=CC5=C(C=C4)C(=O)N(C5=O)CC6=CC=CC=C6

Isomeric SMILES

CC1=CC(=NC2=C1C=CC=C2OC)N3C(=C(C=N3)C#N)NC(=O)C4=CC5=C(C=C4)C(=O)N(C5=O)CC6=CC=CC=C6

InChI

InChI=1S/C31H22N6O4/c1-18-13-26(34-27-22(18)9-6-10-25(27)41-2)37-28(21(15-32)16-33-37)35-29(38)20-11-12-23-24(14-20)31(40)36(30(23)39)17-19-7-4-3-5-8-19/h3-14,16H,17H2,1-2H3,(H,35,38)