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

Systemtic Name: 4-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-N-quinolin-5-yl-butanamide Openeye Name: 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(5-quinolyl)butanamide CAS Name: 4-(1,3-dioxo-2-benzo[de]isoquinolinyl)-N-(5-quinolinyl)butanamide IUPAC Name: 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-quinolin-5-ylbutanamide Traditional Name: 4-(1,3-diketobenzo[de]isoquinolin-2-yl)-N-(5-quinolyl)butyramide Formula: C25H19N3O3 MolecularWeight: 409.43666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCC(=O)NC4=CC=CC5=C4C=CC=N5

Isomeric SMILES

C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCC(=O)NC4=CC=CC5=C4C=CC=N5

InChI

InChI=1S/C25H19N3O3/c29-22(27-21-12-3-11-20-17(21)10-4-14-26-20)13-5-15-28-24(30)18-8-1-6-16-7-2-9-19(23(16)18)25(28)31/h1-4,6-12,14H,5,13,15H2,(H,27,29)