N-[(4-fluorophenyl)methyl]-N-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-N-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Openeye Name: N-[(4-fluorophenyl)methyl]-N-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide CAS Name: N-[(4-fluorophenyl)methyl]-N-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxamide IUPAC Name: N-[(4-fluorophenyl)methyl]-N-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Traditional Name: N-(4-fluorobenzyl)-N-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]isonipecotamide Formula: C21H21F4N3O3 MolecularWeight: 439.403353

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)F)C(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=C(C=C1)F)C(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H21F4N3O3/c1-26(13-14-2-5-17(22)6-3-14)20(29)15-8-10-27(11-9-15)18-7-4-16(21(23,24)25)12-19(18)28(30)31/h2-7,12,15H,8-11,13H2,1H3