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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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