4-nitro-N-[2-[4-[6-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethyl]benzamide

Systemtic Name: 4-nitro-N-[2-[4-[6-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethyl]benzamide Openeye Name: 4-nitro-N-[2-[4-[6-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]ethyl]benzamide CAS Name: 4-nitro-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]ethyl]benzamide IUPAC Name: 4-nitro-N-[2-[4-[6-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethyl]benzamide Traditional Name: 4-nitro-N-[2-[4-[6-(trifluoromethyl)-2-pyridyl]piperazino]ethyl]benzamide Formula: C19H20F3N5O3 MolecularWeight: 423.38901

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC(=N3)C(F)(F)F

Isomeric SMILES

C1CN(CCN1CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC(=N3)C(F)(F)F

InChI

InChI=1S/C19H20F3N5O3/c20-19(21,22)16-2-1-3-17(24-16)26-12-10-25(11-13-26)9-8-23-18(28)14-4-6-15(7-5-14)27(29)30/h1-7H,8-13H2,(H,23,28)