(4-imidazol-1-yl-3-nitro-phenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

Systemtic Name: (4-imidazol-1-yl-3-nitro-phenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Openeye Name: (4-imidazol-1-yl-3-nitro-phenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone CAS Name: [4-(1-imidazolyl)-3-nitrophenyl]-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methanone IUPAC Name: (4-imidazol-1-yl-3-nitrophenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Traditional Name: (4-imidazol-1-yl-3-nitro-phenyl)-[4-[3-(trifluoromethyl)phenyl]piperazino]methanone Formula: C21H18F3N5O3 MolecularWeight: 445.39453

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)C3=CC(=C(C=C3)N4C=CN=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)C3=CC(=C(C=C3)N4C=CN=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H18F3N5O3/c22-21(23,24)16-2-1-3-17(13-16)26-8-10-27(11-9-26)20(30)15-4-5-18(19(12-15)29(31)32)28-7-6-25-14-28/h1-7,12-14H,8-11H2