N-[(5-bromanyl-2-fluoranyl-phenyl)methyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-[(5-bromanyl-2-fluoranyl-phenyl)methyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[(5-bromo-2-fluoro-phenyl)methyl]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[(5-bromo-2-fluorophenyl)methyl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[(5-bromo-2-fluorophenyl)methyl]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-(5-bromo-2-fluoro-benzyl)-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C19H17BrFN3O2 MolecularWeight: 418.259583

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=C(C=CC(=C3)Br)F

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=C(C=CC(=C3)Br)F

InChI

InChI=1S/C19H17BrFN3O2/c1-2-9-24-19(26)15-6-4-3-5-14(15)17(23-24)18(25)22-11-12-10-13(20)7-8-16(12)21/h3-8,10H,2,9,11H2,1H3,(H,22,25)