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

Systemtic Name: N-[(4-fluoranyl-3-methyl-phenyl)methyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Openeye Name: N-[(4-fluoro-3-methyl-phenyl)methyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide CAS Name: N-[(4-fluoro-3-methylphenyl)methyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxamide IUPAC Name: N-[(4-fluoro-3-methylphenyl)methyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Traditional Name: N-(4-fluoro-3-methyl-benzyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]isonipecotamide Formula: C21H21F4N3O3 MolecularWeight: 439.403353

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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