N-[3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-3-oxidanylidene-propyl]benzamide

Systemtic Name: N-[3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-3-oxidanylidene-propyl]benzamide Openeye Name: N-[3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-3-oxo-propyl]benzamide CAS Name: N-[3-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-3-oxopropyl]benzamide IUPAC Name: N-[3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-3-oxopropyl]benzamide Traditional Name: N-[3-keto-3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]propyl]benzamide 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)CCNC(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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