ethyl 1-[1-(2-fluorophenyl)carbonylpiperidin-4-yl]-5-propyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 1-[1-(2-fluorophenyl)carbonylpiperidin-4-yl]-5-propyl-pyrazole-3-carboxylate Openeye Name: ethyl 1-[1-(2-fluorobenzoyl)-4-piperidyl]-5-propyl-pyrazole-3-carboxylate CAS Name: 1-[1-[(2-fluorophenyl)-oxomethyl]-4-piperidinyl]-5-propyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(2-fluorobenzoyl)piperidin-4-yl]-5-propylpyrazole-3-carboxylate Traditional Name: 1-[1-(2-fluorobenzoyl)-4-piperidyl]-5-propyl-pyrazole-3-carboxylic acid ethyl ester Formula: C21H26FN3O3 MolecularWeight: 387.447843

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NN1C2CCN(CC2)C(=O)C3=CC=CC=C3F)C(=O)OCC

Isomeric SMILES

CCCC1=CC(=NN1C2CCN(CC2)C(=O)C3=CC=CC=C3F)C(=O)OCC

InChI

InChI=1S/C21H26FN3O3/c1-3-7-16-14-19(21(27)28-4-2)23-25(16)15-10-12-24(13-11-15)20(26)17-8-5-6-9-18(17)22/h5-6,8-9,14-15H,3-4,7,10-13H2,1-2H3