ethyl 4-[2-(4-fluorophenyl)-5-thiophen-2-yl-pyrazol-3-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(4-fluorophenyl)-5-thiophen-2-yl-pyrazol-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[2-(4-fluorophenyl)-5-(2-thienyl)pyrazole-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[2-(4-fluorophenyl)-5-thiophen-2-yl-3-pyrazolyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-fluorophenyl)-5-thiophen-2-ylpyrazole-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[2-(4-fluorophenyl)-5-(2-thienyl)pyrazole-3-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H21FN4O3S MolecularWeight: 428.479843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=NN2C3=CC=C(C=C3)F)C4=CC=CS4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=NN2C3=CC=C(C=C3)F)C4=CC=CS4

InChI

InChI=1S/C21H21FN4O3S/c1-2-29-21(28)25-11-9-24(10-12-25)20(27)18-14-17(19-4-3-13-30-19)23-26(18)16-7-5-15(22)6-8-16/h3-8,13-14H,2,9-12H2,1H3