4-[1-[4-[2-(4-fluoranyl-2-phenylmethoxy-phenoxy)ethyl]piperazin-1-yl]hexyl]-2-methyl-benzenecarbonitrile

Systemtic Name: 4-[1-[4-[2-(4-fluoranyl-2-phenylmethoxy-phenoxy)ethyl]piperazin-1-yl]hexyl]-2-methyl-benzenecarbonitrile Openeye Name: 4-[1-[4-[2-(2-benzyloxy-4-fluoro-phenoxy)ethyl]piperazin-1-yl]hexyl]-2-methyl-benzonitrile CAS Name: 4-[1-[4-[2-(4-fluoro-2-phenylmethoxyphenoxy)ethyl]-1-piperazinyl]hexyl]-2-methylbenzonitrile IUPAC Name: 4-[1-[4-[2-(4-fluoro-2-phenylmethoxyphenoxy)ethyl]piperazin-1-yl]hexyl]-2-methylbenzonitrile Traditional Name: 4-[1-[4-[2-(2-benzoxy-4-fluoro-phenoxy)ethyl]piperazino]hexyl]-2-methyl-benzonitrile Formula: C33H40FN3O2 MolecularWeight: 529.688003

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CCOC3=C(C=C(C=C3)F)OCC4=CC=CC=C4

Isomeric SMILES

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CCOC3=C(C=C(C=C3)F)OCC4=CC=CC=C4

InChI

InChI=1S/C33H40FN3O2/c1-3-4-6-11-31(28-12-13-29(24-35)26(2)22-28)37-18-16-36(17-19-37)20-21-38-32-15-14-30(34)23-33(32)39-25-27-9-7-5-8-10-27/h5,7-10,12-15,22-23,31H,3-4,6,11,16-21,25H2,1-2H3