4-[1-[4-[2-(2-cyanophenoxy)ethyl]piperazin-1-yl]hexyl]-2-methyl-benzenecarbonitrile

Systemtic Name: 4-[1-[4-[2-(2-cyanophenoxy)ethyl]piperazin-1-yl]hexyl]-2-methyl-benzenecarbonitrile Openeye Name: 4-[1-[4-[2-(2-cyanophenoxy)ethyl]piperazin-1-yl]hexyl]-2-methyl-benzonitrile CAS Name: 4-[1-[4-[2-(2-cyanophenoxy)ethyl]-1-piperazinyl]hexyl]-2-methylbenzonitrile IUPAC Name: 4-[1-[4-[2-(2-cyanophenoxy)ethyl]piperazin-1-yl]hexyl]-2-methylbenzonitrile Traditional Name: 4-[1-[4-[2-(2-cyanophenoxy)ethyl]piperazino]hexyl]-2-methyl-benzonitrile Formula: C27H34N4O MolecularWeight: 430.58506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CCOC3=CC=CC=C3C#N

Isomeric SMILES

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CCOC3=CC=CC=C3C#N

InChI

InChI=1S/C27H34N4O/c1-3-4-5-9-26(23-11-12-24(20-28)22(2)19-23)31-15-13-30(14-16-31)17-18-32-27-10-7-6-8-25(27)21-29/h6-8,10-12,19,26H,3-5,9,13-18H2,1-2H3