tert-butyl 4-[1-(4-fluorophenyl)-3-methyl-thieno[2,3-c]pyrazol-5-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-(4-fluorophenyl)-3-methyl-thieno[2,3-c]pyrazol-5-yl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[1-(4-fluorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-(4-fluorophenyl)-3-methyl-5-thieno[2,3-c]pyrazolyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(4-fluorophenyl)-3-methylthieno[2,3-c]pyrazole-5-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-(4-fluorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carbonyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H25FN4O3S MolecularWeight: 444.522303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H25FN4O3S/c1-14-17-13-18(31-20(17)27(24-14)16-7-5-15(23)6-8-16)19(28)25-9-11-26(12-10-25)21(29)30-22(2,3)4/h5-8,13H,9-12H2,1-4H3