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

Systemtic Name: N-[(4-aminocarbonylphenyl)methyl]-N-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Openeye Name: N-[(4-carbamoylphenyl)methyl]-N-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide CAS Name: N-[(4-carbamoylphenyl)methyl]-N-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxamide IUPAC Name: N-[(4-carbamoylphenyl)methyl]-N-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Traditional Name: N-(4-carbamoylbenzyl)-N-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]isonipecotamide Formula: C22H23F3N4O4 MolecularWeight: 464.43763

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H23F3N4O4/c1-27(13-14-2-4-15(5-3-14)20(26)30)21(31)16-8-10-28(11-9-16)18-7-6-17(22(23,24)25)12-19(18)29(32)33/h2-7,12,16H,8-11,13H2,1H3,(H2,26,30)