5-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-2-phenyl-2-propyl-pentanenitrile

Systemtic Name: 5-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-2-phenyl-2-propyl-pentanenitrile Openeye Name: 5-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-2-phenyl-2-propyl-pentanenitrile CAS Name: 5-[4-[2-(4-methylphenoxy)ethyl]-1-piperazinyl]-2-phenyl-2-propylpentanenitrile IUPAC Name: 5-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-2-phenyl-2-propylpentanenitrile Traditional Name: 5-[4-[2-(4-methylphenoxy)ethyl]piperazino]-2-phenyl-2-propyl-valeronitrile Formula: C27H37N3O MolecularWeight: 419.60218

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCCN1CCN(CC1)CCOC2=CC=C(C=C2)C)(C#N)C3=CC=CC=C3

Isomeric SMILES

CCCC(CCCN1CCN(CC1)CCOC2=CC=C(C=C2)C)(C#N)C3=CC=CC=C3

InChI

InChI=1S/C27H37N3O/c1-3-14-27(23-28,25-8-5-4-6-9-25)15-7-16-29-17-19-30(20-18-29)21-22-31-26-12-10-24(2)11-13-26/h4-6,8-13H,3,7,14-22H2,1-2H3