N-(2,4-dimethylphenyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide

Systemtic Name: N-(2,4-dimethylphenyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Openeye Name: N-(2,4-dimethylphenyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide CAS Name: N-(2,4-dimethylphenyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxamide IUPAC Name: N-(2,4-dimethylphenyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Traditional Name: N-(2,4-dimethylphenyl)-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)NC(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C21H22F3N3O3/c1-13-3-5-17(14(2)11-13)25-20(28)15-7-9-26(10-8-15)18-6-4-16(21(22,23)24)12-19(18)27(29)30/h3-6,11-12,15H,7-10H2,1-2H3,(H,25,28)