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

Systemtic Name: 4-[1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]hexyl]-2-methyl-benzenecarbonitrile Openeye Name: 4-[1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]hexyl]-2-methyl-benzonitrile CAS Name: 4-[1-[4-[2-(4-methoxyphenoxy)ethyl]-1-piperazinyl]hexyl]-2-methylbenzonitrile IUPAC Name: 4-[1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]hexyl]-2-methylbenzonitrile Traditional Name: 4-[1-[4-[2-(4-methoxyphenoxy)ethyl]piperazino]hexyl]-2-methyl-benzonitrile Formula: C27H37N3O2 MolecularWeight: 435.60158

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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

Isomeric SMILES

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

InChI

InChI=1S/C27H37N3O2/c1-4-5-6-7-27(23-8-9-24(21-28)22(2)20-23)30-16-14-29(15-17-30)18-19-32-26-12-10-25(31-3)11-13-26/h8-13,20,27H,4-7,14-19H2,1-3H3