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

Systemtic Name: [2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate Openeye Name: [2-(4-fluoroanilino)-2-oxo-1-phenyl-ethyl] 4-oxo-3-propyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propyl-1-phthalazinecarboxylic acid [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-oxo-3-propylphthalazine-1-carboxylate Traditional Name: 4-keto-3-propyl-phthalazine-1-carboxylic acid [2-(4-fluoroanilino)-2-keto-1-phenyl-ethyl] ester Formula: C26H22FN3O4 MolecularWeight: 459.468983

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C26H22FN3O4/c1-2-16-30-25(32)21-11-7-6-10-20(21)22(29-30)26(33)34-23(17-8-4-3-5-9-17)24(31)28-19-14-12-18(27)13-15-19/h3-15,23H,2,16H2,1H3,(H,28,31)