4-[1-[4-[2-(3,4-dimethoxyphenoxy)ethyl]piperazin-1-yl]hexyl]-2-methyl-benzenecarbonitrile

Systemtic Name: 4-[1-[4-[2-(3,4-dimethoxyphenoxy)ethyl]piperazin-1-yl]hexyl]-2-methyl-benzenecarbonitrile Openeye Name: 4-[1-[4-[2-(3,4-dimethoxyphenoxy)ethyl]piperazin-1-yl]hexyl]-2-methyl-benzonitrile CAS Name: 4-[1-[4-[2-(3,4-dimethoxyphenoxy)ethyl]-1-piperazinyl]hexyl]-2-methylbenzonitrile IUPAC Name: 4-[1-[4-[2-(3,4-dimethoxyphenoxy)ethyl]piperazin-1-yl]hexyl]-2-methylbenzonitrile Traditional Name: 4-[1-[4-[2-(3,4-dimethoxyphenoxy)ethyl]piperazino]hexyl]-2-methyl-benzonitrile Formula: C28H39N3O3 MolecularWeight: 465.62756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CCOC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CCOC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C28H39N3O3/c1-5-6-7-8-26(23-9-10-24(21-29)22(2)19-23)31-15-13-30(14-16-31)17-18-34-25-11-12-27(32-3)28(20-25)33-4/h9-12,19-20,26H,5-8,13-18H2,1-4H3