N-(2-iodanylphenyl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-(2-iodanylphenyl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-(2-iodophenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-(2-iodophenyl)-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-(2-iodophenyl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-(2-iodophenyl)-4-keto-phthalazine-1-carboxamide Formula: C22H16IN3O2 MolecularWeight: 481.28581

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=CC=CC=C4I

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=CC=CC=C4I

InChI

InChI=1S/C22H16IN3O2/c23-18-12-6-7-13-19(18)24-21(27)20-16-10-4-5-11-17(16)22(28)26(25-20)14-15-8-2-1-3-9-15/h1-13H,14H2,(H,24,27)