[3,4-bis(fluoranyl)phenyl] 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate

Systemtic Name: [3,4-bis(fluoranyl)phenyl] 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate Openeye Name: (3,4-difluorophenyl) 3-benzyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-(phenylmethyl)-1-phthalazinecarboxylic acid (3,4-difluorophenyl) ester IUPAC Name: (3,4-difluorophenyl) 3-benzyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-benzyl-4-keto-phthalazine-1-carboxylic acid (3,4-difluorophenyl) ester Formula: C22H14F2N2O3 MolecularWeight: 392.354966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)OC4=CC(=C(C=C4)F)F

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)OC4=CC(=C(C=C4)F)F

InChI

InChI=1S/C22H14F2N2O3/c23-18-11-10-15(12-19(18)24)29-22(28)20-16-8-4-5-9-17(16)21(27)26(25-20)13-14-6-2-1-3-7-14/h1-12H,13H2