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

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-isoquinolin-5-yl-butanamide Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)-N-(5-isoquinolyl)butanamide CAS Name: 4-(1,3-dioxo-2-isoindolyl)-N-(5-isoquinolinyl)butanamide IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)-N-isoquinolin-5-ylbutanamide Traditional Name: N-(5-isoquinolyl)-4-phthalimido-butyramide Formula: C21H17N3O3 MolecularWeight: 359.37798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)NC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)NC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C21H17N3O3/c25-19(23-18-8-3-5-14-13-22-11-10-15(14)18)9-4-12-24-20(26)16-6-1-2-7-17(16)21(24)27/h1-3,5-8,10-11,13H,4,9,12H2,(H,23,25)