5-nitro-8-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]quinoline

Systemtic Name: 5-nitro-8-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]quinoline Openeye Name: 5-nitro-8-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]quinoline CAS Name: 5-nitro-8-[4-[[3-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]quinoline IUPAC Name: 5-nitro-8-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]quinoline Traditional Name: 5-nitro-8-[4-[3-(trifluoromethyl)benzyl]piperazino]quinoline Formula: C21H19F3N4O2 MolecularWeight: 416.39637

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)C(F)(F)F)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=N4

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)C(F)(F)F)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=N4

InChI

InChI=1S/C21H19F3N4O2/c22-21(23,24)16-4-1-3-15(13-16)14-26-9-11-27(12-10-26)19-7-6-18(28(29)30)17-5-2-8-25-20(17)19/h1-8,13H,9-12,14H2