ethanedioic acid; 2-(4-fluorophenyl)-2-piperidin-4-yl-2-pyridin-2-yl-ethanenitrile

Systemtic Name: ethanedioic acid; 2-(4-fluorophenyl)-2-piperidin-4-yl-2-pyridin-2-yl-ethanenitrile Openeye Name: 2-(4-fluorophenyl)-2-(4-piperidyl)-2-(2-pyridyl)acetonitrile; oxalic acid CAS Name: 2-(4-fluorophenyl)-2-(4-piperidinyl)-2-(2-pyridinyl)acetonitrile; oxalic acid IUPAC Name: 2-(4-fluorophenyl)-2-piperidin-4-yl-2-pyridin-2-ylacetonitrile; oxalic acid Traditional Name: 2-(4-fluorophenyl)-2-(4-piperidyl)-2-(2-pyridyl)acetonitrile; oxalic acid Formula: C20H20FN3O4 MolecularWeight: 385.388903

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C(C#N)(C2=CC=C(C=C2)F)C3=CC=CC=N3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CNCCC1C(C#N)(C2=CC=C(C=C2)F)C3=CC=CC=N3.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H18FN3.C2H2O4/c19-16-6-4-14(5-7-16)18(13-20,15-8-11-21-12-9-15)17-3-1-2-10-22-17;3-1(4)2(5)6/h1-7,10,15,21H,8-9,11-12H2;(H,3,4)(H,5,6)