N-[2-(dimethylamino)-2-phenyl-ethyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide

Systemtic Name: N-[2-(dimethylamino)-2-phenyl-ethyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Openeye Name: N-[2-(dimethylamino)-2-phenyl-ethyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide CAS Name: N-[2-(dimethylamino)-2-phenylethyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxamide IUPAC Name: N-[2-(dimethylamino)-2-phenylethyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Traditional Name: N-[2-(dimethylamino)-2-phenyl-ethyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]isonipecotamide Formula: C23H27F3N4O3 MolecularWeight: 464.48069

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC(=O)C1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CN(C)C(CNC(=O)C1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C23H27F3N4O3/c1-28(2)21(16-6-4-3-5-7-16)15-27-22(31)17-10-12-29(13-11-17)19-9-8-18(23(24,25)26)14-20(19)30(32)33/h3-9,14,17,21H,10-13,15H2,1-2H3,(H,27,31)