ethyl 1-[4-(4-phenylpiperazin-1-yl)carbonylphenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[4-(4-phenylpiperazin-1-yl)carbonylphenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-(4-phenylpiperazine-1-carbonyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate CAS Name: 1-[4-[oxo-(4-phenyl-1-piperazinyl)methyl]phenyl]-5-(trifluoromethyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(4-phenylpiperazine-1-carbonyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate Traditional Name: 1-[4-(4-phenylpiperazine-1-carbonyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid ethyl ester Formula: C24H23F3N4O3 MolecularWeight: 472.45963

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4)C(F)(F)F

InChI

InChI=1S/C24H23F3N4O3/c1-2-34-23(33)20-16-28-31(21(20)24(25,26)27)19-10-8-17(9-11-19)22(32)30-14-12-29(13-15-30)18-6-4-3-5-7-18/h3-11,16H,2,12-15H2,1H3