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

Systemtic Name: (2S)-5-[4-[2-(4-fluoranylphenoxy)ethyl]piperazin-1-yl]-2-phenyl-2-propan-2-yl-pentanenitrile Openeye Name: (2S)-5-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-2-isopropyl-2-phenyl-pentanenitrile CAS Name: (2S)-5-[4-[2-(4-fluorophenoxy)ethyl]-1-piperazinyl]-2-phenyl-2-propan-2-ylpentanenitrile IUPAC Name: (2S)-5-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-2-phenyl-2-propan-2-ylpentanenitrile Traditional Name: (2S)-5-[4-[2-(4-fluorophenoxy)ethyl]piperazino]-2-isopropyl-2-phenyl-valeronitrile Formula: C26H34FN3O MolecularWeight: 423.566063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34FN3O/c1-22(2)26(21-28,23-7-4-3-5-8-23)13-6-14-29-15-17-30(18-16-29)19-20-31-25-11-9-24(27)10-12-25/h3-5,7-12,22H,6,13-20H2,1-2H3/t26-/m0/s1