N-(3-iodanyl-4-methyl-phenyl)-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-(3-iodanyl-4-methyl-phenyl)-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-(3-iodo-4-methyl-phenyl)-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-(3-iodo-4-methylphenyl)-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-(3-iodo-4-methylphenyl)-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-(3-iodo-4-methyl-phenyl)-4-keto-3H-phthalazine-1-carboxamide Formula: C16H12IN3O2 MolecularWeight: 405.18985

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=NNC(=O)C3=CC=CC=C32)I

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=NNC(=O)C3=CC=CC=C32)I

InChI

InChI=1S/C16H12IN3O2/c1-9-6-7-10(8-13(9)17)18-16(22)14-11-4-2-3-5-12(11)15(21)20-19-14/h2-8H,1H3,(H,18,22)(H,20,21)