2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-3-phenyl-propanamide

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-3-phenyl-propanamide Openeye Name: N-[4-cyano-2-(4-methyl-2-quinolyl)pyrazol-3-yl]-2-(1,3-dioxoisoindolin-2-yl)-3-phenyl-propanamide CAS Name: N-[4-cyano-2-(4-methyl-2-quinolinyl)-3-pyrazolyl]-2-(1,3-dioxo-2-isoindolyl)-3-phenylpropanamide IUPAC Name: N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide Traditional Name: N-[4-cyano-2-(4-methyl-2-quinolyl)pyrazol-3-yl]-3-phenyl-2-phthalimido-propionamide Formula: C31H22N6O3 MolecularWeight: 526.54478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)N3C(=C(C=N3)C#N)NC(=O)C(CC4=CC=CC=C4)N5C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)N3C(=C(C=N3)C#N)NC(=O)C(CC4=CC=CC=C4)N5C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C31H22N6O3/c1-19-15-27(34-25-14-8-7-11-22(19)25)37-28(21(17-32)18-33-37)35-29(38)26(16-20-9-3-2-4-10-20)36-30(39)23-12-5-6-13-24(23)31(36)40/h2-15,18,26H,16H2,1H3,(H,35,38)