ethyl 5-tert-butyl-1-[1-(4-fluorophenyl)carbonylpiperidin-4-yl]pyrazole-3-carboxylate

Systemtic Name: ethyl 5-tert-butyl-1-[1-(4-fluorophenyl)carbonylpiperidin-4-yl]pyrazole-3-carboxylate Openeye Name: ethyl 5-tert-butyl-1-[1-(4-fluorobenzoyl)-4-piperidyl]pyrazole-3-carboxylate CAS Name: 5-tert-butyl-1-[1-[(4-fluorophenyl)-oxomethyl]-4-piperidinyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-tert-butyl-1-[1-(4-fluorobenzoyl)piperidin-4-yl]pyrazole-3-carboxylate Traditional Name: 5-tert-butyl-1-[1-(4-fluorobenzoyl)-4-piperidyl]pyrazole-3-carboxylic acid ethyl ester Formula: C22H28FN3O3 MolecularWeight: 401.474423

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)C(C)(C)C)C2CCN(CC2)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)C(C)(C)C)C2CCN(CC2)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H28FN3O3/c1-5-29-21(28)18-14-19(22(2,3)4)26(24-18)17-10-12-25(13-11-17)20(27)15-6-8-16(23)9-7-15/h6-9,14,17H,5,10-13H2,1-4H3