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

Systemtic Name: 4-[1-[4-[3-(4-fluoranylphenoxy)butan-2-yl]piperazin-1-yl]hexyl]-2-methyl-benzenecarbonitrile Openeye Name: 4-[1-[4-[2-(4-fluorophenoxy)-1-methyl-propyl]piperazin-1-yl]hexyl]-2-methyl-benzonitrile CAS Name: 4-[1-[4-[3-(4-fluorophenoxy)butan-2-yl]-1-piperazinyl]hexyl]-2-methylbenzonitrile IUPAC Name: 4-[1-[4-[3-(4-fluorophenoxy)butan-2-yl]piperazin-1-yl]hexyl]-2-methylbenzonitrile Traditional Name: 4-[1-[4-[2-(4-fluorophenoxy)-1-methyl-propyl]piperazino]hexyl]-2-methyl-benzonitrile Formula: C28H38FN3O MolecularWeight: 451.619223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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