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

Systemtic Name: 2-methyl-4-[1-[4-[2-(3-pyridin-3-ylphenoxy)ethyl]piperazin-1-yl]hexyl]benzenecarbonitrile Openeye Name: 2-methyl-4-[1-[4-[2-[3-(3-pyridyl)phenoxy]ethyl]piperazin-1-yl]hexyl]benzonitrile CAS Name: 2-methyl-4-[1-[4-[2-[3-(3-pyridinyl)phenoxy]ethyl]-1-piperazinyl]hexyl]benzonitrile IUPAC Name: 2-methyl-4-[1-[4-[2-(3-pyridin-3-ylphenoxy)ethyl]piperazin-1-yl]hexyl]benzonitrile Traditional Name: 2-methyl-4-[1-[4-[2-[3-(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(=C3)C4=CN=CC=C4

Isomeric SMILES

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CCOC3=CC=CC(=C3)C4=CN=CC=C4

InChI

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