ethyl 4-[3-[4-bromanyl-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-[4-bromanyl-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]piperazine-1-carboxylate CAS Name: 4-[3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1-pyrazolyl]-1-oxopropyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]piperazine-1-carboxylate Traditional Name: 4-[3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C17H22BrF3N4O3 MolecularWeight: 467.28079

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CCN2C(=C(C(=N2)C(F)(F)F)Br)C3CC3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CCN2C(=C(C(=N2)C(F)(F)F)Br)C3CC3

InChI

InChI=1S/C17H22BrF3N4O3/c1-2-28-16(27)24-9-7-23(8-10-24)12(26)5-6-25-14(11-3-4-11)13(18)15(22-25)17(19,20)21/h11H,2-10H2,1H3