ethyl 4-[1-[2,4-bis(fluoranyl)phenyl]-5-thiophen-2-yl-pyrazol-3-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[1-[2,4-bis(fluoranyl)phenyl]-5-thiophen-2-yl-pyrazol-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[1-(2,4-difluorophenyl)-5-(2-thienyl)pyrazole-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-(2,4-difluorophenyl)-5-thiophen-2-yl-3-pyrazolyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-(2,4-difluorophenyl)-5-thiophen-2-ylpyrazole-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-(2,4-difluorophenyl)-5-(2-thienyl)pyrazole-3-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H20F2N4O3S MolecularWeight: 446.470306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=NN(C(=C2)C3=CC=CS3)C4=C(C=C(C=C4)F)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=NN(C(=C2)C3=CC=CS3)C4=C(C=C(C=C4)F)F

InChI

InChI=1S/C21H20F2N4O3S/c1-2-30-21(29)26-9-7-25(8-10-26)20(28)16-13-18(19-4-3-11-31-19)27(24-16)17-6-5-14(22)12-15(17)23/h3-6,11-13H,2,7-10H2,1H3