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

Systemtic Name: ethanoic acid; 1-[6-phenylmethoxy-5-(trifluoromethyl)pyridin-2-yl]piperazine Openeye Name: acetic acid; 1-[6-benzyloxy-5-(trifluoromethyl)-2-pyridyl]piperazine CAS Name: acetic acid; 1-[6-phenylmethoxy-5-(trifluoromethyl)-2-pyridinyl]piperazine IUPAC Name: acetic acid; 1-[6-phenylmethoxy-5-(trifluoromethyl)pyridin-2-yl]piperazine Traditional Name: acetic acid; 1-[6-benzoxy-5-(trifluoromethyl)-2-pyridyl]piperazine Formula: C19H22F3N3O3 MolecularWeight: 397.39149

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1CN(CCN1)C2=NC(=C(C=C2)C(F)(F)F)OCC3=CC=CC=C3

Isomeric SMILES

CC(=O)O.C1CN(CCN1)C2=NC(=C(C=C2)C(F)(F)F)OCC3=CC=CC=C3

InChI

InChI=1S/C17H18F3N3O.C2H4O2/c18-17(19,20)14-6-7-15(23-10-8-21-9-11-23)22-16(14)24-12-13-4-2-1-3-5-13;1-2(3)4/h1-7,21H,8-12H2;1H3,(H,3,4)