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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24F3N3O3/c1-15-3-5-16(6-4-15)14-26(2)21(29)17-9-11-27(12-10-17)19-8-7-18(22(23,24)25)13-20(19)28(30)31/h3-8,13,17H,9-12,14H2,1-2H3