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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)I

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)I

InChI

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