ethyl 1-[4-(4-pyrazin-2-ylpiperazin-1-yl)carbonylphenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[4-(4-pyrazin-2-ylpiperazin-1-yl)carbonylphenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate CAS Name: 1-[4-[oxo-[4-(2-pyrazinyl)-1-piperazinyl]methyl]phenyl]-5-(trifluoromethyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate Traditional Name: 1-[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid ethyl ester Formula: C22H21F3N6O3 MolecularWeight: 474.43575

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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=NC=CN=C4)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C22H21F3N6O3/c1-2-34-21(33)17-13-28-31(19(17)22(23,24)25)16-5-3-15(4-6-16)20(32)30-11-9-29(10-12-30)18-14-26-7-8-27-18/h3-8,13-14H,2,9-12H2,1H3