1-(4-ethylphenoxy)-3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol

Systemtic Name: 1-(4-ethylphenoxy)-3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol Openeye Name: 1-(4-ethylphenoxy)-3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol CAS Name: 1-(4-ethylphenoxy)-3-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-2-propanol IUPAC Name: 1-(4-ethylphenoxy)-3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol Traditional Name: 1-(4-ethylphenoxy)-3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]propan-2-ol Formula: C22H26F3N3O4 MolecularWeight: 453.45475

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])O

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])O

InChI

InChI=1S/C22H26F3N3O4/c1-2-16-3-6-19(7-4-16)32-15-18(29)14-26-9-11-27(12-10-26)20-8-5-17(22(23,24)25)13-21(20)28(30)31/h3-8,13,18,29H,2,9-12,14-15H2,1H3