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

Systemtic Name: 3-[1-[4-[2-(4-fluoranylphenoxy)ethyl]piperazin-1-yl]heptan-2-yl]-2-methyl-benzenecarbonitrile Openeye Name: 3-[1-[[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]methyl]hexyl]-2-methyl-benzonitrile CAS Name: 3-[1-[4-[2-(4-fluorophenoxy)ethyl]-1-piperazinyl]heptan-2-yl]-2-methylbenzonitrile IUPAC Name: 3-[1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]heptan-2-yl]-2-methylbenzonitrile Traditional Name: 3-[1-[[4-[2-(4-fluorophenoxy)ethyl]piperazino]methyl]hexyl]-2-methyl-benzonitrile Formula: C27H36FN3O MolecularWeight: 437.592643

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CN1CCN(CC1)CCOC2=CC=C(C=C2)F)C3=CC=CC(=C3C)C#N

Isomeric SMILES

CCCCCC(CN1CCN(CC1)CCOC2=CC=C(C=C2)F)C3=CC=CC(=C3C)C#N

InChI

InChI=1S/C27H36FN3O/c1-3-4-5-7-24(27-9-6-8-23(20-29)22(27)2)21-31-16-14-30(15-17-31)18-19-32-26-12-10-25(28)11-13-26/h6,8-13,24H,3-5,7,14-19,21H2,1-2H3