5-[1-[4-[3-(4-fluoranylphenoxy)propyl]piperazin-1-yl]pentyl]-2-methyl-benzenecarbonitrile

Systemtic Name: 5-[1-[4-[3-(4-fluoranylphenoxy)propyl]piperazin-1-yl]pentyl]-2-methyl-benzenecarbonitrile Openeye Name: 5-[1-[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]pentyl]-2-methyl-benzonitrile CAS Name: 5-[1-[4-[3-(4-fluorophenoxy)propyl]-1-piperazinyl]pentyl]-2-methylbenzonitrile IUPAC Name: 5-[1-[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]pentyl]-2-methylbenzonitrile Traditional Name: 5-[1-[4-[3-(4-fluorophenoxy)propyl]piperazino]pentyl]-2-methyl-benzonitrile Formula: C26H34FN3O MolecularWeight: 423.566063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34FN3O/c1-3-4-6-26(22-8-7-21(2)23(19-22)20-28)30-16-14-29(15-17-30)13-5-18-31-25-11-9-24(27)10-12-25/h7-12,19,26H,3-6,13-18H2,1-2H3