ethyl 1-[1-(4-fluorophenyl)-3-methyl-thieno[2,3-c]pyrazol-5-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[1-(4-fluorophenyl)-3-methyl-thieno[2,3-c]pyrazol-5-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[1-(4-fluorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[1-(4-fluorophenyl)-3-methyl-5-thieno[2,3-c]pyrazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(4-fluorophenyl)-3-methylthieno[2,3-c]pyrazole-5-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[1-(4-fluorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carbonyl]nipecotic acid ethyl ester Formula: C21H22FN3O3S MolecularWeight: 415.481083

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC3=C(S2)N(N=C3C)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC3=C(S2)N(N=C3C)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H22FN3O3S/c1-3-28-21(27)14-5-4-10-24(12-14)19(26)18-11-17-13(2)23-25(20(17)29-18)16-8-6-15(22)7-9-16/h6-9,11,14H,3-5,10,12H2,1-2H3