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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)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=CC=CC=C12)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/C30H20N6O3/c1-18-13-26(33-25-10-6-5-9-22(18)25)36-27(21(15-31)16-32-36)34-28(37)20-11-12-23-24(14-20)30(39)35(29(23)38)17-19-7-3-2-4-8-19/h2-14,16H,17H2,1H3,(H,34,37)