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

Systemtic Name: 8-nitro-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]isoquinoline Openeye Name: 8-nitro-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]isoquinoline CAS Name: 8-nitro-5-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]isoquinoline IUPAC Name: 8-nitro-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]isoquinoline Traditional Name: 8-nitro-5-[4-[3-(trifluoromethyl)phenyl]piperazino]isoquinoline Formula: C20H17F3N4O2 MolecularWeight: 402.36979

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C20H17F3N4O2/c21-20(22,23)14-2-1-3-15(12-14)25-8-10-26(11-9-25)18-4-5-19(27(28)29)17-13-24-7-6-16(17)18/h1-7,12-13H,8-11H2