2-methyl-4-[1-[4-[2-(2-pyridin-3-ylphenoxy)ethyl]piperazin-1-yl]hexyl]benzenecarbonitrile

Systemtic Name: 2-methyl-4-[1-[4-[2-(2-pyridin-3-ylphenoxy)ethyl]piperazin-1-yl]hexyl]benzenecarbonitrile Openeye Name: 2-methyl-4-[1-[4-[2-[2-(3-pyridyl)phenoxy]ethyl]piperazin-1-yl]hexyl]benzonitrile CAS Name: 2-methyl-4-[1-[4-[2-[2-(3-pyridinyl)phenoxy]ethyl]-1-piperazinyl]hexyl]benzonitrile IUPAC Name: 2-methyl-4-[1-[4-[2-(2-pyridin-3-ylphenoxy)ethyl]piperazin-1-yl]hexyl]benzonitrile Traditional Name: 2-methyl-4-[1-[4-[2-[2-(3-pyridyl)phenoxy]ethyl]piperazino]hexyl]benzonitrile Formula: C31H38N4O MolecularWeight: 482.65962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CCOC3=CC=CC=C3C4=CN=CC=C4

Isomeric SMILES

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CCOC3=CC=CC=C3C4=CN=CC=C4

InChI

InChI=1S/C31H38N4O/c1-3-4-5-11-30(26-13-14-27(23-32)25(2)22-26)35-18-16-34(17-19-35)20-21-36-31-12-7-6-10-29(31)28-9-8-15-33-24-28/h6-10,12-15,22,24,30H,3-5,11,16-21H2,1-2H3