N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide

Systemtic Name: N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide Openeye Name: N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide CAS Name: N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-1-(2-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide Traditional Name: N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-1-(2-nitrophenyl)isonipecotamide Formula: C21H23F3N4O3 MolecularWeight: 436.42753

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23F3N4O3/c1-26(2)15-7-8-17(16(13-15)21(22,23)24)25-20(29)14-9-11-27(12-10-14)18-5-3-4-6-19(18)28(30)31/h3-8,13-14H,9-12H2,1-2H3,(H,25,29)