ethanoic acid; 3-[[6-piperazin-1-yl-3-(trifluoromethyl)pyridin-2-yl]oxymethyl]benzenecarbonitrile

Systemtic Name: ethanoic acid; 3-[[6-piperazin-1-yl-3-(trifluoromethyl)pyridin-2-yl]oxymethyl]benzenecarbonitrile Openeye Name: acetic acid; 3-[[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridyl]oxymethyl]benzonitrile CAS Name: acetic acid; 3-[[6-(1-piperazinyl)-3-(trifluoromethyl)-2-pyridinyl]oxymethyl]benzonitrile IUPAC Name: acetic acid; 3-[[6-piperazin-1-yl-3-(trifluoromethyl)pyridin-2-yl]oxymethyl]benzonitrile Traditional Name: acetic acid; 3-[[6-piperazino-3-(trifluoromethyl)-2-pyridyl]oxymethyl]benzonitrile Formula: C20H21F3N4O3 MolecularWeight: 422.40095

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17F3N4O.C2H4O2/c19-18(20,21)15-4-5-16(25-8-6-23-7-9-25)24-17(15)26-12-14-3-1-2-13(10-14)11-22;1-2(3)4/h1-5,10,23H,6-9,12H2;1H3,(H,3,4)