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

Systemtic Name: 2-cyclohexyl-5-[4-[2-(4-fluoranylphenoxy)ethyl]piperazin-1-yl]-2-phenyl-pentanenitrile Openeye Name: 2-cyclohexyl-5-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-2-phenyl-pentanenitrile CAS Name: 2-cyclohexyl-5-[4-[2-(4-fluorophenoxy)ethyl]-1-piperazinyl]-2-phenylpentanenitrile IUPAC Name: 2-cyclohexyl-5-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-2-phenylpentanenitrile Traditional Name: 2-cyclohexyl-5-[4-[2-(4-fluorophenoxy)ethyl]piperazino]-2-phenyl-valeronitrile Formula: C29H38FN3O MolecularWeight: 463.629923

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(CCCN2CCN(CC2)CCOC3=CC=C(C=C3)F)(C#N)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)C(CCCN2CCN(CC2)CCOC3=CC=C(C=C3)F)(C#N)C4=CC=CC=C4

InChI

InChI=1S/C29H38FN3O/c30-27-12-14-28(15-13-27)34-23-22-33-20-18-32(19-21-33)17-7-16-29(24-31,25-8-3-1-4-9-25)26-10-5-2-6-11-26/h1,3-4,8-9,12-15,26H,2,5-7,10-11,16-23H2