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

Systemtic Name: N-[(4-methylphenyl)methyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Openeye Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-N-(p-tolylmethyl)piperidine-4-carboxamide CAS Name: N-[(4-methylphenyl)methyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxamide IUPAC Name: N-[(4-methylphenyl)methyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Traditional Name: N-(4-methylbenzyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]isonipecotamide Formula: C21H22F3N3O3 MolecularWeight: 421.41289

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22F3N3O3/c1-14-2-4-15(5-3-14)13-25-20(28)16-8-10-26(11-9-16)18-7-6-17(21(22,23)24)12-19(18)27(29)30/h2-7,12,16H,8-11,13H2,1H3,(H,25,28)