N-(4-iodanyl-2-methyl-phenyl)-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide

Systemtic Name: N-(4-iodanyl-2-methyl-phenyl)-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-(4-iodo-2-methyl-phenyl)-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-(4-iodo-2-methylphenyl)-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-(4-iodo-2-methylphenyl)-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-N-(4-iodo-2-methyl-phenyl)-4-keto-phthalazine-1-carboxamide Formula: C21H22IN3O2 MolecularWeight: 475.32275

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=C(C=C3)I)C

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=C(C=C3)I)C

InChI

InChI=1S/C21H22IN3O2/c1-3-4-7-12-25-21(27)17-9-6-5-8-16(17)19(24-25)20(26)23-18-11-10-15(22)13-14(18)2/h5-6,8-11,13H,3-4,7,12H2,1-2H3,(H,23,26)