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

Systemtic Name: 3-butyl-N-(3-iodanylphenyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-butyl-N-(3-iodophenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: 3-butyl-N-(3-iodophenyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-(3-iodophenyl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-N-(3-iodophenyl)-4-keto-phthalazine-1-carboxamide Formula: C19H18IN3O2 MolecularWeight: 447.26959

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=CC=C3)I

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=CC=C3)I

InChI

InChI=1S/C19H18IN3O2/c1-2-3-11-23-19(25)16-10-5-4-9-15(16)17(22-23)18(24)21-14-8-6-7-13(20)12-14/h4-10,12H,2-3,11H2,1H3,(H,21,24)