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

Systemtic Name: 5-[4-[2-(4-fluoranylphenoxy)ethanoyl]piperazin-1-yl]-2-phenyl-2-propan-2-yl-pentanenitrile Openeye Name: 5-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-2-isopropyl-2-phenyl-pentanenitrile CAS Name: 5-[4-[2-(4-fluorophenoxy)-1-oxoethyl]-1-piperazinyl]-2-phenyl-2-propan-2-ylpentanenitrile IUPAC Name: 5-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-2-phenyl-2-propan-2-ylpentanenitrile Traditional Name: 5-[4-[2-(4-fluorophenoxy)acetyl]piperazino]-2-isopropyl-2-phenyl-valeronitrile Formula: C26H32FN3O2 MolecularWeight: 437.549583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)C(=O)COC2=CC=C(C=C2)F)(C#N)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)C(=O)COC2=CC=C(C=C2)F)(C#N)C3=CC=CC=C3

InChI

InChI=1S/C26H32FN3O2/c1-21(2)26(20-28,22-7-4-3-5-8-22)13-6-14-29-15-17-30(18-16-29)25(31)19-32-24-11-9-23(27)10-12-24/h3-5,7-12,21H,6,13-19H2,1-2H3