methyl 1-[1-(4-fluorophenyl)-4-propoxy-pyrazol-3-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-[1-(4-fluorophenyl)-4-propoxy-pyrazol-3-yl]carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-[1-(4-fluorophenyl)-4-propoxy-pyrazole-3-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[1-(4-fluorophenyl)-4-propoxy-3-pyrazolyl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[1-(4-fluorophenyl)-4-propoxypyrazole-3-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[1-(4-fluorophenyl)-4-propoxy-pyrazole-3-carbonyl]isonipecotic acid methyl ester Formula: C20H24FN3O4 MolecularWeight: 389.420663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CN(N=C1C(=O)N2CCC(CC2)C(=O)OC)C3=CC=C(C=C3)F

Isomeric SMILES

CCCOC1=CN(N=C1C(=O)N2CCC(CC2)C(=O)OC)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H24FN3O4/c1-3-12-28-17-13-24(16-6-4-15(21)5-7-16)22-18(17)19(25)23-10-8-14(9-11-23)20(26)27-2/h4-7,13-14H,3,8-12H2,1-2H3