ethyl 5-[3-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[3-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-[[3-[4-bromo-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]-1-oxopropyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-phenylpyrazole-4-carboxylate Traditional Name: 5-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C20H19BrF3N5O3 MolecularWeight: 514.29577

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)CCN3C(=C(C(=N3)C(F)(F)F)Br)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)CCN3C(=C(C(=N3)C(F)(F)F)Br)C

InChI

InChI=1S/C20H19BrF3N5O3/c1-3-32-19(31)14-11-25-29(13-7-5-4-6-8-13)18(14)26-15(30)9-10-28-12(2)16(21)17(27-28)20(22,23)24/h4-8,11H,3,9-10H2,1-2H3,(H,26,30)