N-[1-(4-ethoxy-3-methoxy-phenyl)ethyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide

Systemtic Name: N-[1-(4-ethoxy-3-methoxy-phenyl)ethyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Openeye Name: N-[1-(4-ethoxy-3-methoxy-phenyl)ethyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide CAS Name: N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxamide IUPAC Name: N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Traditional Name: N-[1-(4-ethoxy-3-methoxy-phenyl)ethyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]isonipecotamide Formula: C24H28F3N3O5 MolecularWeight: 495.49143

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C)NC(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C)NC(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])OC

InChI

InChI=1S/C24H28F3N3O5/c1-4-35-21-8-5-17(13-22(21)34-3)15(2)28-23(31)16-9-11-29(12-10-16)19-7-6-18(24(25,26)27)14-20(19)30(32)33/h5-8,13-16H,4,9-12H2,1-3H3,(H,28,31)