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

Systemtic Name: N-(2-fluoranyl-4-methyl-phenyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Openeye Name: N-(2-fluoro-4-methyl-phenyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide CAS Name: N-(2-fluoro-4-methylphenyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxamide IUPAC Name: N-(2-fluoro-4-methylphenyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Traditional Name: N-(2-fluoro-4-methyl-phenyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]isonipecotamide Formula: C20H19F4N3O3 MolecularWeight: 425.376773

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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-])F

Isomeric SMILES

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

InChI

InChI=1S/C20H19F4N3O3/c1-12-2-4-16(15(21)10-12)25-19(28)13-6-8-26(9-7-13)17-5-3-14(20(22,23)24)11-18(17)27(29)30/h2-5,10-11,13H,6-9H2,1H3,(H,25,28)