1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-N-(4-fluoranyl-3-nitro-phenyl)piperidine-4-carboxamide

Systemtic Name: 1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-N-(4-fluoranyl-3-nitro-phenyl)piperidine-4-carboxamide Openeye Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-N-(4-fluoro-3-nitro-phenyl)piperidine-4-carboxamide CAS Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-fluoro-3-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-(4-fluoro-3-nitrophenyl)piperidine-4-carboxamide Traditional Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-N-(4-fluoro-3-nitro-phenyl)isonipecotamide Formula: C18H15ClF4N4O3 MolecularWeight: 446.783313

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])C3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])C3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C18H15ClF4N4O3/c19-13-7-11(18(21,22)23)9-24-16(13)26-5-3-10(4-6-26)17(28)25-12-1-2-14(20)15(8-12)27(29)30/h1-2,7-10H,3-6H2,(H,25,28)