[2-[2-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl] 1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [2-[2-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl] 1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-[2-(4-fluorophenyl)ethylamino]-2-oxo-ethyl] 1-benzylpyrazole-4-carboxylate CAS Name: 1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 1-benzylpyrazole-4-carboxylate Traditional Name: 1-benzylpyrazole-4-carboxylic acid [2-[2-(4-fluorophenyl)ethylamino]-2-keto-ethyl] ester Formula: C21H20FN3O3 MolecularWeight: 381.400203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C=N2)C(=O)OCC(=O)NCCC3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C=N2)C(=O)OCC(=O)NCCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H20FN3O3/c22-19-8-6-16(7-9-19)10-11-23-20(26)15-28-21(27)18-12-24-25(14-18)13-17-4-2-1-3-5-17/h1-9,12,14H,10-11,13,15H2,(H,23,26)