2-butyl-1,3-bis(oxidanylidene)-N-(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)isoindole-5-carboxamide

Systemtic Name: 2-butyl-1,3-bis(oxidanylidene)-N-(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)isoindole-5-carboxamide Openeye Name: 2-butyl-1,3-dioxo-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)isoindoline-5-carboxamide CAS Name: 2-butyl-1,3-dioxo-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-5-isoindolecarboxamide IUPAC Name: 2-butyl-1,3-dioxo-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)isoindole-5-carboxamide Traditional Name: 2-butyl-1,3-diketo-N-(5-keto-1-phenyl-2-pyrazolin-3-yl)isoindoline-5-carboxamide Formula: C22H20N4O4 MolecularWeight: 404.4186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=NN(C(=O)C3)C4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=NN(C(=O)C3)C4=CC=CC=C4

InChI

InChI=1S/C22H20N4O4/c1-2-3-11-25-21(29)16-10-9-14(12-17(16)22(25)30)20(28)23-18-13-19(27)26(24-18)15-7-5-4-6-8-15/h4-10,12H,2-3,11,13H2,1H3,(H,23,24,28)