N-(4-bromanyl-2-fluoranyl-phenyl)-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-(4-bromo-2-fluorophenyl)-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-N-(4-bromo-2-fluoro-phenyl)-4-keto-phthalazine-1-carboxamide Formula: C20H19BrFN3O2 MolecularWeight: 432.286163

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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)Br)F

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrFN3O2/c1-2-3-6-11-25-20(27)15-8-5-4-7-14(15)18(24-25)19(26)23-17-10-9-13(21)12-16(17)22/h4-5,7-10,12H,2-3,6,11H2,1H3,(H,23,26)