N-[4-bromanyl-3-(trifluoromethyl)phenyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[4-bromanyl-3-(trifluoromethyl)phenyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[4-bromo-3-(trifluoromethyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[4-bromo-3-(trifluoromethyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[4-bromo-3-(trifluoromethyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[4-bromo-3-(trifluoromethyl)phenyl]-4-keto-3H-phthalazine-1-carboxamide Formula: C16H9BrF3N3O2 MolecularWeight: 412.16077

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)NC3=CC(=C(C=C3)Br)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)NC3=CC(=C(C=C3)Br)C(F)(F)F

InChI

InChI=1S/C16H9BrF3N3O2/c17-12-6-5-8(7-11(12)16(18,19)20)21-15(25)13-9-3-1-2-4-10(9)14(24)23-22-13/h1-7H,(H,21,25)(H,23,24)