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

Systemtic Name: 4-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-N-(3-iodanyl-4-methyl-phenyl)butanamide Openeye Name: 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(3-iodo-4-methyl-phenyl)butanamide CAS Name: 4-(1,3-dioxo-2-benzo[de]isoquinolinyl)-N-(3-iodo-4-methylphenyl)butanamide IUPAC Name: 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(3-iodo-4-methylphenyl)butanamide Traditional Name: 4-(1,3-diketobenzo[de]isoquinolin-2-yl)-N-(3-iodo-4-methyl-phenyl)butyramide Formula: C23H19IN2O3 MolecularWeight: 498.31303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)I

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)I

InChI

InChI=1S/C23H19IN2O3/c1-14-10-11-16(13-19(14)24)25-20(27)9-4-12-26-22(28)17-7-2-5-15-6-3-8-18(21(15)17)23(26)29/h2-3,5-8,10-11,13H,4,9,12H2,1H3,(H,25,27)