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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=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)CCN2C(=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/c31-17-22-18-32-36(26-13-11-20-8-4-5-9-25(20)33-26)27(22)34-28(37)21-10-12-23-24(16-21)30(39)35(29(23)38)15-14-19-6-2-1-3-7-19/h1-13,16,18H,14-15H2,(H,34,37)