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

Systemtic Name: 5-[4-[2-(3-fluoranylphenoxy)ethyl]piperazin-1-yl]-2-propan-2-yl-2-thiophen-3-yl-pentanenitrile Openeye Name: 5-[4-[2-(3-fluorophenoxy)ethyl]piperazin-1-yl]-2-isopropyl-2-(3-thienyl)pentanenitrile CAS Name: 5-[4-[2-(3-fluorophenoxy)ethyl]-1-piperazinyl]-2-propan-2-yl-2-(3-thiophenyl)pentanenitrile IUPAC Name: 5-[4-[2-(3-fluorophenoxy)ethyl]piperazin-1-yl]-2-propan-2-yl-2-thiophen-3-ylpentanenitrile Traditional Name: 5-[4-[2-(3-fluorophenoxy)ethyl]piperazino]-2-isopropyl-2-(3-thienyl)valeronitrile Formula: C24H32FN3OS MolecularWeight: 429.593783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32FN3OS/c1-20(2)24(19-26,21-7-16-30-18-21)8-4-9-27-10-12-28(13-11-27)14-15-29-23-6-3-5-22(25)17-23/h3,5-7,16-18,20H,4,8-15H2,1-2H3