4-[1-[4-[2-(3-fluoranylphenoxy)ethyl]piperazin-1-yl]hexyl]-2-methyl-benzenecarbonitrile

Systemtic Name: 4-[1-[4-[2-(3-fluoranylphenoxy)ethyl]piperazin-1-yl]hexyl]-2-methyl-benzenecarbonitrile Openeye Name: 4-[1-[4-[2-(3-fluorophenoxy)ethyl]piperazin-1-yl]hexyl]-2-methyl-benzonitrile CAS Name: 4-[1-[4-[2-(3-fluorophenoxy)ethyl]-1-piperazinyl]hexyl]-2-methylbenzonitrile IUPAC Name: 4-[1-[4-[2-(3-fluorophenoxy)ethyl]piperazin-1-yl]hexyl]-2-methylbenzonitrile Traditional Name: 4-[1-[4-[2-(3-fluorophenoxy)ethyl]piperazino]hexyl]-2-methyl-benzonitrile Formula: C26H34FN3O MolecularWeight: 423.566063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34FN3O/c1-3-4-5-9-26(22-10-11-23(20-28)21(2)18-22)30-14-12-29(13-15-30)16-17-31-25-8-6-7-24(27)19-25/h6-8,10-11,18-19,26H,3-5,9,12-17H2,1-2H3