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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CCCOC3=CC=C(C=C3)F

Isomeric SMILES

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CCCOC3=CC=C(C=C3)F

InChI

InChI=1S/C27H36FN3O/c1-3-4-5-7-27(23-8-9-24(21-29)22(2)20-23)31-17-15-30(16-18-31)14-6-19-32-26-12-10-25(28)11-13-26/h8-13,20,27H,3-7,14-19H2,1-2H3