2-[3-[4-[2-(4-fluoranylphenoxy)ethyl]piperazin-1-yl]propyl]-4-methyl-2-phenyl-pentanenitrile

Systemtic Name: 2-[3-[4-[2-(4-fluoranylphenoxy)ethyl]piperazin-1-yl]propyl]-4-methyl-2-phenyl-pentanenitrile Openeye Name: 2-[3-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]propyl]-4-methyl-2-phenyl-pentanenitrile CAS Name: 2-[3-[4-[2-(4-fluorophenoxy)ethyl]-1-piperazinyl]propyl]-4-methyl-2-phenylpentanenitrile IUPAC Name: 2-[3-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]propyl]-4-methyl-2-phenylpentanenitrile Traditional Name: 2-[3-[4-[2-(4-fluorophenoxy)ethyl]piperazino]propyl]-4-methyl-2-phenyl-valeronitrile Formula: C27H36FN3O MolecularWeight: 437.592643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36FN3O/c1-23(2)21-27(22-29,24-7-4-3-5-8-24)13-6-14-30-15-17-31(18-16-30)19-20-32-26-11-9-25(28)10-12-26/h3-5,7-12,23H,6,13-21H2,1-2H3