ethyl 5-(4-fluorophenyl)-1-[1-(3-methylbut-2-enoyl)piperidin-4-yl]pyrazole-3-carboxylate

Systemtic Name: ethyl 5-(4-fluorophenyl)-1-[1-(3-methylbut-2-enoyl)piperidin-4-yl]pyrazole-3-carboxylate Openeye Name: ethyl 5-(4-fluorophenyl)-1-[1-(3-methylbut-2-enoyl)-4-piperidyl]pyrazole-3-carboxylate CAS Name: 5-(4-fluorophenyl)-1-[1-(3-methyl-1-oxobut-2-enyl)-4-piperidinyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-fluorophenyl)-1-[1-(3-methylbut-2-enoyl)piperidin-4-yl]pyrazole-3-carboxylate Traditional Name: 5-(4-fluorophenyl)-1-[1-(3-methylbut-2-enoyl)-4-piperidyl]pyrazole-3-carboxylic acid ethyl ester Formula: C22H26FN3O3 MolecularWeight: 399.458543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)F)C3CCN(CC3)C(=O)C=C(C)C

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)F)C3CCN(CC3)C(=O)C=C(C)C

InChI

InChI=1S/C22H26FN3O3/c1-4-29-22(28)19-14-20(16-5-7-17(23)8-6-16)26(24-19)18-9-11-25(12-10-18)21(27)13-15(2)3/h5-8,13-14,18H,4,9-12H2,1-3H3