4-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-N-isoquinolin-5-yl-butanamide

Systemtic Name: 4-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-N-isoquinolin-5-yl-butanamide Openeye Name: 4-(5-bromo-1,3-dioxo-isoindolin-2-yl)-N-(5-isoquinolyl)butanamide CAS Name: 4-(5-bromo-1,3-dioxo-2-isoindolyl)-N-(5-isoquinolinyl)butanamide IUPAC Name: 4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-isoquinolin-5-ylbutanamide Traditional Name: 4-(5-bromo-1,3-diketo-isoindolin-2-yl)-N-(5-isoquinolyl)butyramide Formula: C21H16BrN3O3 MolecularWeight: 438.27404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)NC(=O)CCCN3C(=O)C4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)NC(=O)CCCN3C(=O)C4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C21H16BrN3O3/c22-14-6-7-16-17(11-14)21(28)25(20(16)27)10-2-5-19(26)24-18-4-1-3-13-12-23-9-8-15(13)18/h1,3-4,6-9,11-12H,2,5,10H2,(H,24,26)