3-cyanopropyl 3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: 3-cyanopropyl 3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: 3-cyanopropyl 3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(4-fluorophenyl)-1-phenyl-4-pyrazolecarboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxylic acid 3-cyanopropyl ester Formula: C20H16FN3O2 MolecularWeight: 349.358343

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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)OCCCC#N

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)C(=O)OCCCC#N

InChI

InChI=1S/C20H16FN3O2/c21-16-10-8-15(9-11-16)19-18(20(25)26-13-5-4-12-22)14-24(23-19)17-6-2-1-3-7-17/h1-3,6-11,14H,4-5,13H2