5-[4-[2-(4-fluoranylphenoxy)ethyl]piperazin-1-yl]-2-propan-2-yl-2-pyridin-3-yl-pentanenitrile

Systemtic Name: 5-[4-[2-(4-fluoranylphenoxy)ethyl]piperazin-1-yl]-2-propan-2-yl-2-pyridin-3-yl-pentanenitrile Openeye Name: 5-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-2-isopropyl-2-(3-pyridyl)pentanenitrile CAS Name: 5-[4-[2-(4-fluorophenoxy)ethyl]-1-piperazinyl]-2-propan-2-yl-2-(3-pyridinyl)pentanenitrile IUPAC Name: 5-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-2-propan-2-yl-2-pyridin-3-ylpentanenitrile Traditional Name: 5-[4-[2-(4-fluorophenoxy)ethyl]piperazino]-2-isopropyl-2-(3-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=CN=CC=C3

Isomeric SMILES

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

InChI

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