5-[4-[2-(3-ethanoylphenoxy)ethyl]piperazin-1-yl]-2-propan-2-yl-2-thiophen-2-yl-pentanenitrile

Systemtic Name: 5-[4-[2-(3-ethanoylphenoxy)ethyl]piperazin-1-yl]-2-propan-2-yl-2-thiophen-2-yl-pentanenitrile Openeye Name: 5-[4-[2-(3-acetylphenoxy)ethyl]piperazin-1-yl]-2-isopropyl-2-(2-thienyl)pentanenitrile CAS Name: 5-[4-[2-(3-acetylphenoxy)ethyl]-1-piperazinyl]-2-propan-2-yl-2-thiophen-2-ylpentanenitrile IUPAC Name: 5-[4-[2-(3-acetylphenoxy)ethyl]piperazin-1-yl]-2-propan-2-yl-2-thiophen-2-ylpentanenitrile Traditional Name: 5-[4-[2-(3-acetylphenoxy)ethyl]piperazino]-2-isopropyl-2-(2-thienyl)valeronitrile Formula: C26H35N3O2S MolecularWeight: 453.64

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)CCOC2=CC=CC(=C2)C(=O)C)(C#N)C3=CC=CS3

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CCOC2=CC=CC(=C2)C(=O)C)(C#N)C3=CC=CS3

InChI

InChI=1S/C26H35N3O2S/c1-21(2)26(20-27,25-9-5-18-32-25)10-6-11-28-12-14-29(15-13-28)16-17-31-24-8-4-7-23(19-24)22(3)30/h4-5,7-9,18-19,21H,6,10-17H2,1-3H3