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

Systemtic Name: 4-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-N-(4-iodophenyl)butanamide Openeye Name: 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(4-iodophenyl)butanamide CAS Name: 4-(1,3-dioxo-2-benzo[de]isoquinolinyl)-N-(4-iodophenyl)butanamide IUPAC Name: 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(4-iodophenyl)butanamide Traditional Name: 4-(1,3-diketobenzo[de]isoquinolin-2-yl)-N-(4-iodophenyl)butyramide Formula: C22H17IN2O3 MolecularWeight: 484.28645

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=C(C=C4)I

Isomeric SMILES

C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCC(=O)NC4=CC=C(C=C4)I

InChI

InChI=1S/C22H17IN2O3/c23-15-9-11-16(12-10-15)24-19(26)8-3-13-25-21(27)17-6-1-4-14-5-2-7-18(20(14)17)22(25)28/h1-2,4-7,9-12H,3,8,13H2,(H,24,26)