N-(3-iodanylphenyl)-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-(3-iodanylphenyl)-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-(3-iodophenyl)-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-(3-iodophenyl)-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-(3-iodophenyl)-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-(3-iodophenyl)-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C18H16IN3O2 MolecularWeight: 433.24301

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=CC=C3)I

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=CC=C3)I

InChI

InChI=1S/C18H16IN3O2/c1-2-10-22-18(24)15-9-4-3-8-14(15)16(21-22)17(23)20-13-7-5-6-12(19)11-13/h3-9,11H,2,10H2,1H3,(H,20,23)