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

Systemtic Name: N-(2-iodanylphenyl)-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-(2-iodophenyl)-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-(2-iodophenyl)-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-(2-iodophenyl)-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-N-(2-iodophenyl)-4-keto-phthalazine-1-carboxamide Formula: C20H20IN3O2 MolecularWeight: 461.29617

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC=C3I

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC=C3I

InChI

InChI=1S/C20H20IN3O2/c1-2-3-8-13-24-20(26)15-10-5-4-9-14(15)18(23-24)19(25)22-17-12-7-6-11-16(17)21/h4-7,9-12H,2-3,8,13H2,1H3,(H,22,25)