4-nitro-N-[3-oxidanylidene-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzamide

Systemtic Name: 4-nitro-N-[3-oxidanylidene-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzamide Openeye Name: 4-nitro-N-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzamide CAS Name: 4-nitro-N-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]propyl]benzamide IUPAC Name: 4-nitro-N-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzamide Traditional Name: N-[3-keto-3-[4-[3-(trifluoromethyl)phenyl]piperazino]propyl]-4-nitro-benzamide Formula: C21H21F3N4O4 MolecularWeight: 450.41105

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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