[2-(3-fluorophenyl)-2-oxidanylidene-ethyl] 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-(3-fluorophenyl)-2-oxidanylidene-ethyl] 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-(3-fluorophenyl)-2-oxo-ethyl] 3-butyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-butyl-4-oxo-1-phthalazinecarboxylic acid [2-(3-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-fluorophenyl)-2-oxoethyl] 3-butyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-butyl-4-keto-phthalazine-1-carboxylic acid [2-(3-fluorophenyl)-2-keto-ethyl] ester Formula: C21H19FN2O4 MolecularWeight: 382.384963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19FN2O4/c1-2-3-11-24-20(26)17-10-5-4-9-16(17)19(23-24)21(27)28-13-18(25)14-7-6-8-15(22)12-14/h4-10,12H,2-3,11,13H2,1H3