2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(4-fluorophenyl)-1-phenyl-4-pyrazolecarboxylic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxylic acid 2-phthalimidoethyl ester Formula: C26H18FN3O4 MolecularWeight: 455.437223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)C(=O)OCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)C(=O)OCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C26H18FN3O4/c27-18-12-10-17(11-13-18)23-22(16-30(28-23)19-6-2-1-3-7-19)26(33)34-15-14-29-24(31)20-8-4-5-9-21(20)25(29)32/h1-13,16H,14-15H2