ethyl 1-[5-bromanyl-6-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[5-bromanyl-6-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[5-bromo-6-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[5-bromo-6-[[2-methyl-5-(trifluoromethyl)-3-pyrazolyl]oxy]-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-bromo-6-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[5-bromo-6-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C17H19BrF3N5O3 MolecularWeight: 478.26367

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)OC3=CC(=NN3C)C(F)(F)F)Br

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)OC3=CC(=NN3C)C(F)(F)F)Br

InChI

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