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

Systemtic Name: 5-[4-[2-(4-fluoranylphenoxy)ethyl]piperazin-1-yl]-2-phenyl-2-prop-1-en-2-yl-pentanenitrile Openeye Name: 5-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-2-isopropenyl-2-phenyl-pentanenitrile CAS Name: 5-[4-[2-(4-fluorophenoxy)ethyl]-1-piperazinyl]-2-(1-methylethenyl)-2-phenylpentanenitrile IUPAC Name: 5-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-2-phenyl-2-prop-1-en-2-ylpentanenitrile Traditional Name: 2-[3-[4-[2-(4-fluorophenoxy)ethyl]piperazino]propyl]-3-methyl-2-phenyl-but-3-enenitrile Formula: C26H32FN3O MolecularWeight: 421.550183

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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/C26H32FN3O/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/h3-5,7-12H,1,6,13-20H2,2H3