5-[4-[2-(4-fluoranylphenoxy)ethyl]piperazin-1-yl]-2-propan-2-yl-2-pyridin-2-yl-pentanenitrile

Systemtic Name: 5-[4-[2-(4-fluoranylphenoxy)ethyl]piperazin-1-yl]-2-propan-2-yl-2-pyridin-2-yl-pentanenitrile Openeye Name: 5-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-2-isopropyl-2-(2-pyridyl)pentanenitrile CAS Name: 5-[4-[2-(4-fluorophenoxy)ethyl]-1-piperazinyl]-2-propan-2-yl-2-(2-pyridinyl)pentanenitrile IUPAC Name: 5-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-2-propan-2-yl-2-pyridin-2-ylpentanenitrile Traditional Name: 5-[4-[2-(4-fluorophenoxy)ethyl]piperazino]-2-isopropyl-2-(2-pyridyl)valeronitrile Formula: C25H33FN4O MolecularWeight: 424.554123

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)CCOC2=CC=C(C=C2)F)(C#N)C3=CC=CC=N3

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CCOC2=CC=C(C=C2)F)(C#N)C3=CC=CC=N3

InChI

InChI=1S/C25H33FN4O/c1-21(2)25(20-27,24-6-3-4-12-28-24)11-5-13-29-14-16-30(17-15-29)18-19-31-23-9-7-22(26)8-10-23/h3-4,6-10,12,21H,5,11,13-19H2,1-2H3