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

Systemtic Name: ethyl 5-[3-[4-bromanyl-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methyl-pyrazole-4-carboxylate CAS Name: 5-[[3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1-pyrazolyl]-1-oxopropyl]amino]-1-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-4-carboxylate Traditional Name: 5-[3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C17H19BrF3N5O3 MolecularWeight: 478.26367

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C)NC(=O)CCN2C(=C(C(=N2)C(F)(F)F)Br)C3CC3

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C)NC(=O)CCN2C(=C(C(=N2)C(F)(F)F)Br)C3CC3

InChI

InChI=1S/C17H19BrF3N5O3/c1-3-29-16(28)10-8-22-25(2)15(10)23-11(27)6-7-26-13(9-4-5-9)12(18)14(24-26)17(19,20)21/h8-9H,3-7H2,1-2H3,(H,23,27)