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

Systemtic Name: N-(4-cyano-2-quinolin-2-yl-pyrazol-3-yl)-2-(4-methoxyphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: N-[4-cyano-2-(2-quinolyl)pyrazol-3-yl]-2-(4-methoxyphenyl)-1,3-dioxo-isoindoline-5-carboxamide CAS Name: N-[4-cyano-2-(2-quinolinyl)-3-pyrazolyl]-2-(4-methoxyphenyl)-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: N-(4-cyano-2-quinolin-2-ylpyrazol-3-yl)-2-(4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide Traditional Name: N-[4-cyano-2-(2-quinolyl)pyrazol-3-yl]-1,3-diketo-2-(4-methoxyphenyl)isoindoline-5-carboxamide Formula: C29H18N6O4 MolecularWeight: 514.49102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=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

COC1=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/C29H18N6O4/c1-39-21-10-8-20(9-11-21)34-28(37)22-12-6-18(14-23(22)29(34)38)27(36)33-26-19(15-30)16-31-35(26)25-13-7-17-4-2-3-5-24(17)32-25/h2-14,16H,1H3,(H,33,36)