1-[4-[bis(fluoranyl)methyl]-6-(1-ethyl-5-methyl-pyrazol-4-yl)pyrimidin-2-yl]piperidine-4-carboxylate

Systemtic Name: 1-[4-[bis(fluoranyl)methyl]-6-(1-ethyl-5-methyl-pyrazol-4-yl)pyrimidin-2-yl]piperidine-4-carboxylate Openeye Name: 1-[4-(difluoromethyl)-6-(1-ethyl-5-methyl-pyrazol-4-yl)pyrimidin-2-yl]piperidine-4-carboxylate CAS Name: 1-[4-(difluoromethyl)-6-(1-ethyl-5-methyl-4-pyrazolyl)-2-pyrimidinyl]-4-piperidinecarboxylate IUPAC Name: 1-[4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)pyrimidin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[4-(difluoromethyl)-6-(1-ethyl-5-methyl-pyrazol-4-yl)pyrimidin-2-yl]isonipecotate Formula: C17H20F2N5O2- MolecularWeight: 364.369806

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)C2=CC(=NC(=N2)N3CCC(CC3)C(=O)[O-])C(F)F)C

Isomeric SMILES

CCN1C(=C(C=N1)C2=CC(=NC(=N2)N3CCC(CC3)C(=O)[O-])C(F)F)C

InChI

InChI=1S/C17H21F2N5O2/c1-3-24-10(2)12(9-20-24)13-8-14(15(18)19)22-17(21-13)23-6-4-11(5-7-23)16(25)26/h8-9,11,15H,3-7H2,1-2H3,(H,25,26)/p-1