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

Systemtic Name: 3-butyl-N-(3-iodanyl-4-methyl-phenyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-butyl-N-(3-iodo-4-methyl-phenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: 3-butyl-N-(3-iodo-4-methylphenyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-(3-iodo-4-methylphenyl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-N-(3-iodo-4-methyl-phenyl)-4-keto-phthalazine-1-carboxamide Formula: C20H20IN3O2 MolecularWeight: 461.29617

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20IN3O2/c1-3-4-11-24-20(26)16-8-6-5-7-15(16)18(23-24)19(25)22-14-10-9-13(2)17(21)12-14/h5-10,12H,3-4,11H2,1-2H3,(H,22,25)