ethyl 5-(4-fluorophenyl)-1-(1-pent-4-enoylpiperidin-4-yl)pyrazole-3-carboxylate

Systemtic Name: ethyl 5-(4-fluorophenyl)-1-(1-pent-4-enoylpiperidin-4-yl)pyrazole-3-carboxylate Openeye Name: ethyl 5-(4-fluorophenyl)-1-(1-pent-4-enoyl-4-piperidyl)pyrazole-3-carboxylate CAS Name: 5-(4-fluorophenyl)-1-[1-(1-oxopent-4-enyl)-4-piperidinyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-fluorophenyl)-1-(1-pent-4-enoylpiperidin-4-yl)pyrazole-3-carboxylate Traditional Name: 5-(4-fluorophenyl)-1-(1-pent-4-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)CCC=C

Isomeric SMILES

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

InChI

InChI=1S/C22H26FN3O3/c1-3-5-6-21(27)25-13-11-18(12-14-25)26-20(16-7-9-17(23)10-8-16)15-19(24-26)22(28)29-4-2/h3,7-10,15,18H,1,4-6,11-14H2,2H3