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

Systemtic Name: N-(4-cyano-2-quinolin-2-yl-pyrazol-3-yl)-2-(4-ethylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: N-[4-cyano-2-(2-quinolyl)pyrazol-3-yl]-2-(4-ethylphenyl)-1,3-dioxo-isoindoline-5-carboxamide CAS Name: N-[4-cyano-2-(2-quinolinyl)-3-pyrazolyl]-2-(4-ethylphenyl)-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: N-(4-cyano-2-quinolin-2-ylpyrazol-3-yl)-2-(4-ethylphenyl)-1,3-dioxoisoindole-5-carboxamide Traditional Name: N-[4-cyano-2-(2-quinolyl)pyrazol-3-yl]-2-(4-ethylphenyl)-1,3-diketo-isoindoline-5-carboxamide Formula: C30H20N6O3 MolecularWeight: 512.5182

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=C(C=NN4C5=NC6=CC=CC=C6C=C5)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=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/C30H20N6O3/c1-2-18-7-11-22(12-8-18)35-29(38)23-13-9-20(15-24(23)30(35)39)28(37)34-27-21(16-31)17-32-36(27)26-14-10-19-5-3-4-6-25(19)33-26/h3-15,17H,2H2,1H3,(H,34,37)