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

Systemtic Name: 1-[4-[bis(fluoranyl)methyl]-6-(4-bromophenyl)pyrimidin-2-yl]piperidine-4-carboxylate Openeye Name: 1-[4-(4-bromophenyl)-6-(difluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylate CAS Name: 1-[4-(4-bromophenyl)-6-(difluoromethyl)-2-pyrimidinyl]-4-piperidinecarboxylate IUPAC Name: 1-[4-(4-bromophenyl)-6-(difluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[4-(4-bromophenyl)-6-(difluoromethyl)pyrimidin-2-yl]isonipecotate Formula: C17H15BrF2N3O2- MolecularWeight: 411.220706

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)[O-])C2=NC(=CC(=N2)C(F)F)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CCC1C(=O)[O-])C2=NC(=CC(=N2)C(F)F)C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H16BrF2N3O2/c18-12-3-1-10(2-4-12)13-9-14(15(19)20)22-17(21-13)23-7-5-11(6-8-23)16(24)25/h1-4,9,11,15H,5-8H2,(H,24,25)/p-1