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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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