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

Systemtic Name: [2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-ethyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-(4-fluoroanilino)-2-oxo-1-phenyl-ethyl] 3-ethyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-ethyl-4-oxo-1-phthalazinecarboxylic acid [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-ethyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-ethyl-4-keto-phthalazine-1-carboxylic acid [2-(4-fluoroanilino)-2-keto-1-phenyl-ethyl] ester Formula: C25H20FN3O4 MolecularWeight: 445.442403

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C25H20FN3O4/c1-2-29-24(31)20-11-7-6-10-19(20)21(28-29)25(32)33-22(16-8-4-3-5-9-16)23(30)27-18-14-12-17(26)13-15-18/h3-15,22H,2H2,1H3,(H,27,30)