N-(3-cyanophenyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide

Systemtic Name: N-(3-cyanophenyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Openeye Name: N-(3-cyanophenyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide CAS Name: N-(3-cyanophenyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxamide IUPAC Name: N-(3-cyanophenyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Traditional Name: N-(3-cyanophenyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]isonipecotamide Formula: C20H17F3N4O3 MolecularWeight: 418.36919

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=CC(=C2)C#N)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=CC(=C2)C#N)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H17F3N4O3/c21-20(22,23)15-4-5-17(18(11-15)27(29)30)26-8-6-14(7-9-26)19(28)25-16-3-1-2-13(10-16)12-24/h1-5,10-11,14H,6-9H2,(H,25,28)