3-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]-N-(4-iodanyl-2-methyl-phenyl)propanamide

Systemtic Name: 3-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]-N-(4-iodanyl-2-methyl-phenyl)propanamide Openeye Name: 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-iodo-2-methyl-phenyl)propanamide CAS Name: 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-iodo-2-methylphenyl)propanamide IUPAC Name: 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-iodo-2-methylphenyl)propanamide Traditional Name: 3-(1,4-diketo-3H-phthalazin-2-yl)-N-(4-iodo-2-methyl-phenyl)propionamide Formula: C18H16IN3O3 MolecularWeight: 449.24241

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC(=O)CCN2C(=O)C3=CC=CC=C3C(=O)N2

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC(=O)CCN2C(=O)C3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C18H16IN3O3/c1-11-10-12(19)6-7-15(11)20-16(23)8-9-22-18(25)14-5-3-2-4-13(14)17(24)21-22/h2-7,10H,8-9H2,1H3,(H,20,23)(H,21,24)