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

Systemtic Name: N-(3-morpholin-4-ylpropyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Openeye Name: N-(3-morpholinopropyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide CAS Name: N-[3-(4-morpholinyl)propyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxamide IUPAC Name: N-(3-morpholin-4-ylpropyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Traditional Name: N-(3-morpholinopropyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]isonipecotamide Formula: C20H27F3N4O4 MolecularWeight: 444.44799

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCCN2CCOCC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)NCCCN2CCOCC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H27F3N4O4/c21-20(22,23)16-2-3-17(18(14-16)27(29)30)26-8-4-15(5-9-26)19(28)24-6-1-7-25-10-12-31-13-11-25/h2-3,14-15H,1,4-13H2,(H,24,28)