ethyl 4-[1-(4-fluorophenyl)-4-propoxy-pyrazol-3-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[1-(4-fluorophenyl)-4-propoxy-pyrazol-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[1-(4-fluorophenyl)-4-propoxy-pyrazole-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-(4-fluorophenyl)-4-propoxy-3-pyrazolyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-(4-fluorophenyl)-4-propoxypyrazole-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-(4-fluorophenyl)-4-propoxy-pyrazole-3-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H25FN4O4 MolecularWeight: 404.435303

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CN(N=C1C(=O)N2CCN(CC2)C(=O)OCC)C3=CC=C(C=C3)F

Isomeric SMILES

CCCOC1=CN(N=C1C(=O)N2CCN(CC2)C(=O)OCC)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H25FN4O4/c1-3-13-29-17-14-25(16-7-5-15(21)6-8-16)22-18(17)19(26)23-9-11-24(12-10-23)20(27)28-4-2/h5-8,14H,3-4,9-13H2,1-2H3