N-[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethyl]-1-pyrimidin-2-yl-piperidine-3-carboxamide

Systemtic Name: N-[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethyl]-1-pyrimidin-2-yl-piperidine-3-carboxamide Openeye Name: N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-1-pyrimidin-2-yl-piperidine-3-carboxamide CAS Name: N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-1-(2-pyrimidinyl)-3-piperidinecarboxamide IUPAC Name: N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide Traditional Name: N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-1-(2-pyrimidyl)nipecotamide Formula: C19H21F3N6O3 MolecularWeight: 438.40365

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=CC=N2)C(=O)NCCNC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CC(CN(C1)C2=NC=CC=N2)C(=O)NCCNC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H21F3N6O3/c20-19(21,22)14-4-5-15(16(11-14)28(30)31)23-8-9-24-17(29)13-3-1-10-27(12-13)18-25-6-2-7-26-18/h2,4-7,11,13,23H,1,3,8-10,12H2,(H,24,29)