(E)-5-[1-[2-(4-fluoranylphenoxy)ethyl]piperazin-2-yl]-2-phenyl-2-propan-2-yl-pent-4-enenitrile

Systemtic Name: (E)-5-[1-[2-(4-fluoranylphenoxy)ethyl]piperazin-2-yl]-2-phenyl-2-propan-2-yl-pent-4-enenitrile Openeye Name: (E)-5-[1-[2-(4-fluorophenoxy)ethyl]piperazin-2-yl]-2-isopropyl-2-phenyl-pent-4-enenitrile CAS Name: (E)-5-[1-[2-(4-fluorophenoxy)ethyl]-2-piperazinyl]-2-phenyl-2-propan-2-yl-4-pentenenitrile IUPAC Name: (E)-5-[1-[2-(4-fluorophenoxy)ethyl]piperazin-2-yl]-2-phenyl-2-propan-2-ylpent-4-enenitrile Traditional Name: (E)-5-[1-[2-(4-fluorophenoxy)ethyl]piperazin-2-yl]-2-isopropyl-2-phenyl-pent-4-enenitrile Formula: C26H32FN3O MolecularWeight: 421.550183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC=CC1CNCCN1CCOC2=CC=C(C=C2)F)(C#N)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(C/C=C/C1CNCCN1CCOC2=CC=C(C=C2)F)(C#N)C3=CC=CC=C3

InChI

InChI=1S/C26H32FN3O/c1-21(2)26(20-28,22-7-4-3-5-8-22)14-6-9-24-19-29-15-16-30(24)17-18-31-25-12-10-23(27)11-13-25/h3-13,21,24,29H,14-19H2,1-2H3/b9-6+