ethanoic acid; 1-[6-(1-phenylethoxy)-5-(trifluoromethyl)pyridin-2-yl]piperazine

Systemtic Name: ethanoic acid; 1-[6-(1-phenylethoxy)-5-(trifluoromethyl)pyridin-2-yl]piperazine Openeye Name: acetic acid; 1-[6-(1-phenylethoxy)-5-(trifluoromethyl)-2-pyridyl]piperazine CAS Name: acetic acid; 1-[6-(1-phenylethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine IUPAC Name: acetic acid; 1-[6-(1-phenylethoxy)-5-(trifluoromethyl)pyridin-2-yl]piperazine Traditional Name: acetic acid; 1-[6-(1-phenylethoxy)-5-(trifluoromethyl)-2-pyridyl]piperazine Formula: C20H24F3N3O3 MolecularWeight: 411.41807

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)OC2=C(C=CC(=N2)N3CCNCC3)C(F)(F)F.CC(=O)O

Isomeric SMILES

CC(C1=CC=CC=C1)OC2=C(C=CC(=N2)N3CCNCC3)C(F)(F)F.CC(=O)O

InChI

InChI=1S/C18H20F3N3O.C2H4O2/c1-13(14-5-3-2-4-6-14)25-17-15(18(19,20)21)7-8-16(23-17)24-11-9-22-10-12-24;1-2(3)4/h2-8,13,22H,9-12H2,1H3;1H3,(H,3,4)