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

Systemtic Name: 4-[1-[4-[2-(2,3-dimethoxyphenoxy)ethyl]piperazin-1-yl]hexyl]-2-methyl-benzenecarbonitrile Openeye Name: 4-[1-[4-[2-(2,3-dimethoxyphenoxy)ethyl]piperazin-1-yl]hexyl]-2-methyl-benzonitrile CAS Name: 4-[1-[4-[2-(2,3-dimethoxyphenoxy)ethyl]-1-piperazinyl]hexyl]-2-methylbenzonitrile IUPAC Name: 4-[1-[4-[2-(2,3-dimethoxyphenoxy)ethyl]piperazin-1-yl]hexyl]-2-methylbenzonitrile Traditional Name: 4-[1-[4-[2-(2,3-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=CC(=C3OC)OC

Isomeric SMILES

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CCOC3=CC=CC(=C3OC)OC

InChI

InChI=1S/C28H39N3O3/c1-5-6-7-9-25(23-12-13-24(21-29)22(2)20-23)31-16-14-30(15-17-31)18-19-34-27-11-8-10-26(32-3)28(27)33-4/h8,10-13,20,25H,5-7,9,14-19H2,1-4H3