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

Systemtic Name: 5-[4-[2-(4-fluoranyl-2-methoxy-phenoxy)ethyl]piperazin-1-yl]-2-phenyl-2-propan-2-yl-pentanenitrile Openeye Name: 5-[4-[2-(4-fluoro-2-methoxy-phenoxy)ethyl]piperazin-1-yl]-2-isopropyl-2-phenyl-pentanenitrile CAS Name: 5-[4-[2-(4-fluoro-2-methoxyphenoxy)ethyl]-1-piperazinyl]-2-phenyl-2-propan-2-ylpentanenitrile IUPAC Name: 5-[4-[2-(4-fluoro-2-methoxyphenoxy)ethyl]piperazin-1-yl]-2-phenyl-2-propan-2-ylpentanenitrile Traditional Name: 5-[4-[2-(4-fluoro-2-methoxy-phenoxy)ethyl]piperazino]-2-isopropyl-2-phenyl-valeronitrile Formula: C27H36FN3O2 MolecularWeight: 453.592043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36FN3O2/c1-22(2)27(21-29,23-8-5-4-6-9-23)12-7-13-30-14-16-31(17-15-30)18-19-33-25-11-10-24(28)20-26(25)32-3/h4-6,8-11,20,22H,7,12-19H2,1-3H3