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

Systemtic Name: 3-[1-[4-[2-(4-fluoranylphenoxy)ethyl]piperazin-1-yl]pentyl]-2-methyl-benzenecarbonitrile Openeye Name: 3-[1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]pentyl]-2-methyl-benzonitrile CAS Name: 3-[1-[4-[2-(4-fluorophenoxy)ethyl]-1-piperazinyl]pentyl]-2-methylbenzonitrile IUPAC Name: 3-[1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]pentyl]-2-methylbenzonitrile Traditional Name: 3-[1-[4-[2-(4-fluorophenoxy)ethyl]piperazino]pentyl]-2-methyl-benzonitrile Formula: C25H32FN3O MolecularWeight: 409.539483

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC=CC(=C1C)C#N)N2CCN(CC2)CCOC3=CC=C(C=C3)F

Isomeric SMILES

CCCCC(C1=CC=CC(=C1C)C#N)N2CCN(CC2)CCOC3=CC=C(C=C3)F

InChI

InChI=1S/C25H32FN3O/c1-3-4-8-25(24-7-5-6-21(19-27)20(24)2)29-15-13-28(14-16-29)17-18-30-23-11-9-22(26)10-12-23/h5-7,9-12,25H,3-4,8,13-18H2,1-2H3