ethyl 5-[4-(4-butanoylpiperazin-1-yl)phenyl]-1-(3-fluorophenyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 5-[4-(4-butanoylpiperazin-1-yl)phenyl]-1-(3-fluorophenyl)pyrazole-3-carboxylate Openeye Name: ethyl 5-[4-(4-butanoylpiperazin-1-yl)phenyl]-1-(3-fluorophenyl)pyrazole-3-carboxylate CAS Name: 1-(3-fluorophenyl)-5-[4-[4-(1-oxobutyl)-1-piperazinyl]phenyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-(4-butanoylpiperazin-1-yl)phenyl]-1-(3-fluorophenyl)pyrazole-3-carboxylate Traditional Name: 5-[4-(4-butyrylpiperazino)phenyl]-1-(3-fluorophenyl)pyrazole-3-carboxylic acid ethyl ester Formula: C26H29FN4O3 MolecularWeight: 464.531863

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)C3=CC(=NN3C4=CC(=CC=C4)F)C(=O)OCC

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)C3=CC(=NN3C4=CC(=CC=C4)F)C(=O)OCC

InChI

InChI=1S/C26H29FN4O3/c1-3-6-25(32)30-15-13-29(14-16-30)21-11-9-19(10-12-21)24-18-23(26(33)34-4-2)28-31(24)22-8-5-7-20(27)17-22/h5,7-12,17-18H,3-4,6,13-16H2,1-2H3