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

Systemtic Name: 5-[4-[2-(4-fluoranylphenoxy)ethyl]piperazin-1-yl]-4-oxidanyl-2-phenyl-2-propan-2-yl-pentanenitrile Openeye Name: 5-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-4-hydroxy-2-isopropyl-2-phenyl-pentanenitrile CAS Name: 5-[4-[2-(4-fluorophenoxy)ethyl]-1-piperazinyl]-4-hydroxy-2-phenyl-2-propan-2-ylpentanenitrile IUPAC Name: 5-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-4-hydroxy-2-phenyl-2-propan-2-ylpentanenitrile Traditional Name: 5-[4-[2-(4-fluorophenoxy)ethyl]piperazino]-4-hydroxy-2-isopropyl-2-phenyl-valeronitrile Formula: C26H34FN3O2 MolecularWeight: 439.565463

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC(CN1CCN(CC1)CCOC2=CC=C(C=C2)F)O)(C#N)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(CC(CN1CCN(CC1)CCOC2=CC=C(C=C2)F)O)(C#N)C3=CC=CC=C3

InChI

InChI=1S/C26H34FN3O2/c1-21(2)26(20-28,22-6-4-3-5-7-22)18-24(31)19-30-14-12-29(13-15-30)16-17-32-25-10-8-23(27)9-11-25/h3-11,21,24,31H,12-19H2,1-2H3