2,2,2-tris(fluoranyl)-1-[4-(6-nitro-4-phenyl-quinazolin-2-yl)piperazin-1-yl]ethanone

Systemtic Name: 2,2,2-tris(fluoranyl)-1-[4-(6-nitro-4-phenyl-quinazolin-2-yl)piperazin-1-yl]ethanone Openeye Name: 2,2,2-trifluoro-1-[4-(6-nitro-4-phenyl-quinazolin-2-yl)piperazin-1-yl]ethanone CAS Name: 2,2,2-trifluoro-1-[4-(6-nitro-4-phenyl-2-quinazolinyl)-1-piperazinyl]ethanone IUPAC Name: 2,2,2-trifluoro-1-[4-(6-nitro-4-phenylquinazolin-2-yl)piperazin-1-yl]ethanone Traditional Name: 2,2,2-trifluoro-1-[4-(6-nitro-4-phenyl-quinazolin-2-yl)piperazino]ethanone Formula: C20H16F3N5O3 MolecularWeight: 431.36795

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=N2)C4=CC=CC=C4)C(=O)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=N2)C4=CC=CC=C4)C(=O)C(F)(F)F

InChI

InChI=1S/C20H16F3N5O3/c21-20(22,23)18(29)26-8-10-27(11-9-26)19-24-16-7-6-14(28(30)31)12-15(16)17(25-19)13-4-2-1-3-5-13/h1-7,12H,8-11H2