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

Systemtic Name: 5-[4-[2-(4-fluoranylphenoxy)ethyl]piperazin-1-yl]-2-phenyl-2-propan-2-yl-hexanenitrile Openeye Name: 5-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-2-isopropyl-2-phenyl-hexanenitrile CAS Name: 5-[4-[2-(4-fluorophenoxy)ethyl]-1-piperazinyl]-2-phenyl-2-propan-2-ylhexanenitrile IUPAC Name: 5-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-2-phenyl-2-propan-2-ylhexanenitrile Traditional Name: 5-[4-[2-(4-fluorophenoxy)ethyl]piperazino]-2-isopropyl-2-phenyl-hexanenitrile Formula: C27H36FN3O MolecularWeight: 437.592643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCC(C)N1CCN(CC1)CCOC2=CC=C(C=C2)F)(C#N)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(CCC(C)N1CCN(CC1)CCOC2=CC=C(C=C2)F)(C#N)C3=CC=CC=C3

InChI

InChI=1S/C27H36FN3O/c1-22(2)27(21-29,24-7-5-4-6-8-24)14-13-23(3)31-17-15-30(16-18-31)19-20-32-26-11-9-25(28)10-12-26/h4-12,22-23H,13-20H2,1-3H3