1-(4-nitrophenoxy)-3-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]propan-2-ol

Systemtic Name: 1-(4-nitrophenoxy)-3-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]propan-2-ol Openeye Name: 1-(4-nitrophenoxy)-3-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]propan-2-ol CAS Name: 1-(4-nitrophenoxy)-3-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]-2-propanol IUPAC Name: 1-(4-nitrophenoxy)-3-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]propan-2-ol Traditional Name: 1-(4-nitrophenoxy)-3-[4-[5-(trifluoromethyl)-2-pyridyl]piperazino]propan-2-ol Formula: C19H21F3N4O4 MolecularWeight: 426.38965

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21F3N4O4/c20-19(21,22)14-1-6-18(23-11-14)25-9-7-24(8-10-25)12-16(27)13-30-17-4-2-15(3-5-17)26(28)29/h1-6,11,16,27H,7-10,12-13H2