N-[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethyl]-1-pyrimidin-2-yl-piperidine-2-carboxamide

Systemtic Name: N-[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethyl]-1-pyrimidin-2-yl-piperidine-2-carboxamide Openeye Name: N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-1-pyrimidin-2-yl-piperidine-2-carboxamide CAS Name: N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-1-(2-pyrimidinyl)-2-piperidinecarboxamide IUPAC Name: N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-1-pyrimidin-2-ylpiperidine-2-carboxamide Traditional Name: N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-1-(2-pyrimidyl)pipecolinamide Formula: C19H21F3N6O3 MolecularWeight: 438.40365

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)NCCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C3=NC=CC=N3

Isomeric SMILES

C1CCN(C(C1)C(=O)NCCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C3=NC=CC=N3

InChI

InChI=1S/C19H21F3N6O3/c20-19(21,22)13-5-6-14(16(12-13)28(30)31)23-9-10-24-17(29)15-4-1-2-11-27(15)18-25-7-3-8-26-18/h3,5-8,12,15,23H,1-2,4,9-11H2,(H,24,29)