(4-imidazol-1-yl-3-nitro-phenyl)-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methanone

Systemtic Name: (4-imidazol-1-yl-3-nitro-phenyl)-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methanone Openeye Name: (4-imidazol-1-yl-3-nitro-phenyl)-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]methanone CAS Name: [4-(1-imidazolyl)-3-nitrophenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]methanone IUPAC Name: (4-imidazol-1-yl-3-nitrophenyl)-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methanone Traditional Name: (4-imidazol-1-yl-3-nitro-phenyl)-[4-[5-(trifluoromethyl)-2-pyridyl]piperazino]methanone Formula: C20H17F3N6O3 MolecularWeight: 446.38259

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17F3N6O3/c21-20(22,23)15-2-4-18(25-12-15)26-7-9-27(10-8-26)19(30)14-1-3-16(17(11-14)29(31)32)28-6-5-24-13-28/h1-6,11-13H,7-10H2