4-oxidanylidene-3-(phenylmethyl)-N-[2,3,4-tris(fluoranyl)phenyl]phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-3-(phenylmethyl)-N-[2,3,4-tris(fluoranyl)phenyl]phthalazine-1-carboxamide Openeye Name: 3-benzyl-4-oxo-N-(2,3,4-trifluorophenyl)phthalazine-1-carboxamide CAS Name: 4-oxo-3-(phenylmethyl)-N-(2,3,4-trifluorophenyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-4-oxo-N-(2,3,4-trifluorophenyl)phthalazine-1-carboxamide Traditional Name: 3-benzyl-4-keto-N-(2,3,4-trifluorophenyl)phthalazine-1-carboxamide Formula: C22H14F3N3O2 MolecularWeight: 409.36067

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=C(C(=C(C=C4)F)F)F

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=C(C(=C(C=C4)F)F)F

InChI

InChI=1S/C22H14F3N3O2/c23-16-10-11-17(19(25)18(16)24)26-21(29)20-14-8-4-5-9-15(14)22(30)28(27-20)12-13-6-2-1-3-7-13/h1-11H,12H2,(H,26,29)