1-(4-nitrophenoxy)-3-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]propan-2-ol

Systemtic Name: 1-(4-nitrophenoxy)-3-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]propan-2-ol Openeye Name: 1-(4-nitrophenoxy)-3-[4-[2-(trifluoromethyl)-4-quinolyl]piperazin-1-yl]propan-2-ol CAS Name: 1-(4-nitrophenoxy)-3-[4-[2-(trifluoromethyl)-4-quinolinyl]-1-piperazinyl]-2-propanol IUPAC Name: 1-(4-nitrophenoxy)-3-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]propan-2-ol Traditional Name: 1-(4-nitrophenoxy)-3-[4-[2-(trifluoromethyl)-4-quinolyl]piperazino]propan-2-ol Formula: C23H23F3N4O4 MolecularWeight: 476.44833

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COC2=CC=C(C=C2)[N+](=O)[O-])O)C3=CC(=NC4=CC=CC=C43)C(F)(F)F

Isomeric SMILES

C1CN(CCN1CC(COC2=CC=C(C=C2)[N+](=O)[O-])O)C3=CC(=NC4=CC=CC=C43)C(F)(F)F

InChI

InChI=1S/C23H23F3N4O4/c24-23(25,26)22-13-21(19-3-1-2-4-20(19)27-22)29-11-9-28(10-12-29)14-17(31)15-34-18-7-5-16(6-8-18)30(32)33/h1-8,13,17,31H,9-12,14-15H2