ethyl 1-[3-(quinoxalin-2-ylcarbonylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[3-(quinoxalin-2-ylcarbonylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate Openeye Name: ethyl 1-[3-(quinoxaline-2-carbonylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate CAS Name: 1-[3-[[oxo(2-quinoxalinyl)methyl]amino]phenyl]-5-(trifluoromethyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(quinoxaline-2-carbonylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate Traditional Name: 1-[3-(quinoxaline-2-carbonylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid ethyl ester Formula: C22H16F3N5O3 MolecularWeight: 455.38935

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)NC(=O)C3=NC4=CC=CC=C4N=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)NC(=O)C3=NC4=CC=CC=C4N=C3)C(F)(F)F

InChI

InChI=1S/C22H16F3N5O3/c1-2-33-21(32)15-11-27-30(19(15)22(23,24)25)14-7-5-6-13(10-14)28-20(31)18-12-26-16-8-3-4-9-17(16)29-18/h3-12H,2H2,1H3,(H,28,31)