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

Systemtic Name: N-(4-cyano-2-quinolin-2-yl-pyrazol-3-yl)-1,3-bis(oxidanylidene)-2-(phenylmethyl)isoindole-5-carboxamide Openeye Name: 2-benzyl-N-[4-cyano-2-(2-quinolyl)pyrazol-3-yl]-1,3-dioxo-isoindoline-5-carboxamide CAS Name: N-[4-cyano-2-(2-quinolinyl)-3-pyrazolyl]-1,3-dioxo-2-(phenylmethyl)-5-isoindolecarboxamide IUPAC Name: 2-benzyl-N-(4-cyano-2-quinolin-2-ylpyrazol-3-yl)-1,3-dioxoisoindole-5-carboxamide Traditional Name: 2-benzyl-N-[4-cyano-2-(2-quinolyl)pyrazol-3-yl]-1,3-diketo-isoindoline-5-carboxamide Formula: C29H18N6O3 MolecularWeight: 498.49162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=C(C=NN4C5=NC6=CC=CC=C6C=C5)C#N

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=C(C=NN4C5=NC6=CC=CC=C6C=C5)C#N

InChI

InChI=1S/C29H18N6O3/c30-15-21-16-31-35(25-13-11-19-8-4-5-9-24(19)32-25)26(21)33-27(36)20-10-12-22-23(14-20)29(38)34(28(22)37)17-18-6-2-1-3-7-18/h1-14,16H,17H2,(H,33,36)