5-[4-[2-(2-bromanylphenoxy)ethyl]piperazin-1-yl]-2-phenyl-2-propan-2-yl-pentanenitrile

Systemtic Name: 5-[4-[2-(2-bromanylphenoxy)ethyl]piperazin-1-yl]-2-phenyl-2-propan-2-yl-pentanenitrile Openeye Name: 5-[4-[2-(2-bromophenoxy)ethyl]piperazin-1-yl]-2-isopropyl-2-phenyl-pentanenitrile CAS Name: 5-[4-[2-(2-bromophenoxy)ethyl]-1-piperazinyl]-2-phenyl-2-propan-2-ylpentanenitrile IUPAC Name: 5-[4-[2-(2-bromophenoxy)ethyl]piperazin-1-yl]-2-phenyl-2-propan-2-ylpentanenitrile Traditional Name: 5-[4-[2-(2-bromophenoxy)ethyl]piperazino]-2-isopropyl-2-phenyl-valeronitrile Formula: C26H34BrN3O MolecularWeight: 484.47166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)CCOC2=CC=CC=C2Br)(C#N)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CCOC2=CC=CC=C2Br)(C#N)C3=CC=CC=C3

InChI

InChI=1S/C26H34BrN3O/c1-22(2)26(21-28,23-9-4-3-5-10-23)13-8-14-29-15-17-30(18-16-29)19-20-31-25-12-7-6-11-24(25)27/h3-7,9-12,22H,8,13-20H2,1-2H3