(5-bromanylpyridin-3-yl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

Systemtic Name: (5-bromanylpyridin-3-yl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Openeye Name: (5-bromo-3-pyridyl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone CAS Name: (5-bromo-3-pyridinyl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]methanone IUPAC Name: (5-bromopyridin-3-yl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Traditional Name: (5-bromo-3-pyridyl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]methanone Formula: C17H14BrF3N4O3 MolecularWeight: 459.21727

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C17H14BrF3N4O3/c18-13-7-11(9-22-10-13)16(26)24-5-3-23(4-6-24)14-2-1-12(17(19,20)21)8-15(14)25(27)28/h1-2,7-10H,3-6H2