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

Systemtic Name: [2-[2-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl] 1-methylpyrazole-4-carboxylate Openeye Name: [2-[2-(4-fluorophenyl)ethylamino]-2-oxo-ethyl] 1-methylpyrazole-4-carboxylate CAS Name: 1-methyl-4-pyrazolecarboxylic acid [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 1-methylpyrazole-4-carboxylate Traditional Name: 1-methylpyrazole-4-carboxylic acid [2-[2-(4-fluorophenyl)ethylamino]-2-keto-ethyl] ester Formula: C15H16FN3O3 MolecularWeight: 305.304243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C(=O)OCC(=O)NCCC2=CC=C(C=C2)F

Isomeric SMILES

CN1C=C(C=N1)C(=O)OCC(=O)NCCC2=CC=C(C=C2)F

InChI

InChI=1S/C15H16FN3O3/c1-19-9-12(8-18-19)15(21)22-10-14(20)17-7-6-11-2-4-13(16)5-3-11/h2-5,8-9H,6-7,10H2,1H3,(H,17,20)