[2-[3,4-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl] 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-[3,4-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl] 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-(3,4-difluorophenyl)-2-oxo-ethyl] 3-butyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-butyl-4-oxo-1-phthalazinecarboxylic acid [2-(3,4-difluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-difluorophenyl)-2-oxoethyl] 3-butyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-butyl-4-keto-phthalazine-1-carboxylic acid [2-(3,4-difluorophenyl)-2-keto-ethyl] ester Formula: C21H18F2N2O4 MolecularWeight: 400.375426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)C3=CC(=C(C=C3)F)F

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)C3=CC(=C(C=C3)F)F

InChI

InChI=1S/C21H18F2N2O4/c1-2-3-10-25-20(27)15-7-5-4-6-14(15)19(24-25)21(28)29-12-18(26)13-8-9-16(22)17(23)11-13/h4-9,11H,2-3,10,12H2,1H3