1-(4-nitrophenyl)-3-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]propan-1-one

Systemtic Name: 1-(4-nitrophenyl)-3-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]propan-1-one Openeye Name: 1-(4-nitrophenyl)-3-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-1-one CAS Name: 1-(4-nitrophenyl)-3-[4-[oxo-[2-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-nitrophenyl)-3-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-1-one Traditional Name: 1-(4-nitrophenyl)-3-[4-[2-(trifluoromethyl)benzoyl]piperazino]propan-1-one Formula: C21H20F3N3O4 MolecularWeight: 435.39641

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1CN(CCN1CCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C21H20F3N3O4/c22-21(23,24)18-4-2-1-3-17(18)20(29)26-13-11-25(12-14-26)10-9-19(28)15-5-7-16(8-6-15)27(30)31/h1-8H,9-14H2