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

Systemtic Name: 4-[1-[4-[2-(4-fluoranylphenoxy)ethanoyl]piperazin-1-yl]hexyl]-2-methyl-benzenecarbonitrile Openeye Name: 4-[1-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]hexyl]-2-methyl-benzonitrile CAS Name: 4-[1-[4-[2-(4-fluorophenoxy)-1-oxoethyl]-1-piperazinyl]hexyl]-2-methylbenzonitrile IUPAC Name: 4-[1-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]hexyl]-2-methylbenzonitrile Traditional Name: 4-[1-[4-[2-(4-fluorophenoxy)acetyl]piperazino]hexyl]-2-methyl-benzonitrile Formula: C26H32FN3O2 MolecularWeight: 437.549583

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)C(=O)COC3=CC=C(C=C3)F

Isomeric SMILES

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)C(=O)COC3=CC=C(C=C3)F

InChI

InChI=1S/C26H32FN3O2/c1-3-4-5-6-25(21-7-8-22(18-28)20(2)17-21)29-13-15-30(16-14-29)26(31)19-32-24-11-9-23(27)10-12-24/h7-12,17,25H,3-6,13-16,19H2,1-2H3