4-[1-[4-[2-(4-fluoranylphenoxy)butyl]piperazin-1-yl]hexyl]-2-methyl-benzenecarbonitrile

Systemtic Name: 4-[1-[4-[2-(4-fluoranylphenoxy)butyl]piperazin-1-yl]hexyl]-2-methyl-benzenecarbonitrile Openeye Name: 4-[1-[4-[2-(4-fluorophenoxy)butyl]piperazin-1-yl]hexyl]-2-methyl-benzonitrile CAS Name: 4-[1-[4-[2-(4-fluorophenoxy)butyl]-1-piperazinyl]hexyl]-2-methylbenzonitrile IUPAC Name: 4-[1-[4-[2-(4-fluorophenoxy)butyl]piperazin-1-yl]hexyl]-2-methylbenzonitrile Traditional Name: 4-[1-[4-[2-(4-fluorophenoxy)butyl]piperazino]hexyl]-2-methyl-benzonitrile Formula: C28H38FN3O MolecularWeight: 451.619223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CC(CC)OC3=CC=C(C=C3)F

Isomeric SMILES

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CC(CC)OC3=CC=C(C=C3)F

InChI

InChI=1S/C28H38FN3O/c1-4-6-7-8-28(23-9-10-24(20-30)22(3)19-23)32-17-15-31(16-18-32)21-26(5-2)33-27-13-11-25(29)12-14-27/h9-14,19,26,28H,4-8,15-18,21H2,1-3H3