N-(2-ethyl-6-methyl-phenyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide CAS Name: N-(2-ethyl-6-methylphenyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]isonipecotamide Formula: C22H24F3N3O3 MolecularWeight: 435.43947

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])C

InChI

InChI=1S/C22H24F3N3O3/c1-3-15-6-4-5-14(2)20(15)26-21(29)16-9-11-27(12-10-16)18-8-7-17(22(23,24)25)13-19(18)28(30)31/h4-8,13,16H,3,9-12H2,1-2H3,(H,26,29)