1-[4-[1-[4-(4-fluorophenyl)-5-methyl-pyrimidin-2-yl]-5-thiophen-2-yl-pyrazol-4-yl]carbonylpiperazin-1-yl]ethanone

Systemtic Name: 1-[4-[1-[4-(4-fluorophenyl)-5-methyl-pyrimidin-2-yl]-5-thiophen-2-yl-pyrazol-4-yl]carbonylpiperazin-1-yl]ethanone Openeye Name: 1-[4-[1-[4-(4-fluorophenyl)-5-methyl-pyrimidin-2-yl]-5-(2-thienyl)pyrazole-4-carbonyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[[1-[4-(4-fluorophenyl)-5-methyl-2-pyrimidinyl]-5-thiophen-2-yl-4-pyrazolyl]-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-thiophen-2-ylpyrazole-4-carbonyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[1-[4-(4-fluorophenyl)-5-methyl-pyrimidin-2-yl]-5-(2-thienyl)pyrazole-4-carbonyl]piperazino]ethanone Formula: C25H23FN6O2S MolecularWeight: 490.552523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2=CC=C(C=C2)F)N3C(=C(C=N3)C(=O)N4CCN(CC4)C(=O)C)C5=CC=CS5

Isomeric SMILES

CC1=CN=C(N=C1C2=CC=C(C=C2)F)N3C(=C(C=N3)C(=O)N4CCN(CC4)C(=O)C)C5=CC=CS5

InChI

InChI=1S/C25H23FN6O2S/c1-16-14-27-25(29-22(16)18-5-7-19(26)8-6-18)32-23(21-4-3-13-35-21)20(15-28-32)24(34)31-11-9-30(10-12-31)17(2)33/h3-8,13-15H,9-12H2,1-2H3