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

Systemtic Name: 2-methyl-4-[1-[4-[2-(3-phenylphenoxy)ethyl]piperazin-1-yl]hexyl]benzenecarbonitrile Openeye Name: 2-methyl-4-[1-[4-[2-(3-phenylphenoxy)ethyl]piperazin-1-yl]hexyl]benzonitrile CAS Name: 2-methyl-4-[1-[4-[2-(3-phenylphenoxy)ethyl]-1-piperazinyl]hexyl]benzonitrile IUPAC Name: 2-methyl-4-[1-[4-[2-(3-phenylphenoxy)ethyl]piperazin-1-yl]hexyl]benzonitrile Traditional Name: 2-methyl-4-[1-[4-[2-(3-phenylphenoxy)ethyl]piperazino]hexyl]benzonitrile Formula: C32H39N3O MolecularWeight: 481.67156

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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=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C32H39N3O/c1-3-4-6-14-32(29-15-16-30(25-33)26(2)23-29)35-19-17-34(18-20-35)21-22-36-31-13-9-12-28(24-31)27-10-7-5-8-11-27/h5,7-13,15-16,23-24,32H,3-4,6,14,17-22H2,1-2H3