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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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