N-[2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-oxidanylidene-ethyl]-2-phenyl-ethanamide

Systemtic Name: N-[2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-oxidanylidene-ethyl]-2-phenyl-ethanamide Openeye Name: N-[2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-oxo-ethyl]-2-phenyl-acetamide CAS Name: N-[2-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-2-oxoethyl]-2-phenylacetamide IUPAC Name: N-[2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide Traditional Name: N-[2-keto-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]ethyl]-2-phenyl-acetamide Formula: C21H21F3N4O4 MolecularWeight: 450.41105

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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)CNC(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)CNC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H21F3N4O4/c22-21(23,24)16-6-7-17(18(13-16)28(31)32)26-8-10-27(11-9-26)20(30)14-25-19(29)12-15-4-2-1-3-5-15/h1-7,13H,8-12,14H2,(H,25,29)