N-[(3-fluorophenyl)methyl]-N-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide

Systemtic Name: N-[(3-fluorophenyl)methyl]-N-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Openeye Name: N-[(3-fluorophenyl)methyl]-N-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide CAS Name: N-[(3-fluorophenyl)methyl]-N-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxamide IUPAC Name: N-[(3-fluorophenyl)methyl]-N-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Traditional Name: N-(3-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(=CC=C1)F)C(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC(=CC=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(13-14-3-2-4-17(22)11-14)20(29)15-7-9-27(10-8-15)18-6-5-16(21(23,24)25)12-19(18)28(30)31/h2-6,11-12,15H,7-10,13H2,1H3