5-[4-[2-(4-fluoranyl-2-isocyano-phenoxy)ethyl]piperazin-1-yl]-2-propan-2-yl-2-thiophen-2-yl-pentanenitrile

Systemtic Name: 5-[4-[2-(4-fluoranyl-2-isocyano-phenoxy)ethyl]piperazin-1-yl]-2-propan-2-yl-2-thiophen-2-yl-pentanenitrile Openeye Name: 5-[4-[2-(4-fluoro-2-isocyano-phenoxy)ethyl]piperazin-1-yl]-2-isopropyl-2-(2-thienyl)pentanenitrile CAS Name: 5-[4-[2-(4-fluoro-2-isocyanophenoxy)ethyl]-1-piperazinyl]-2-propan-2-yl-2-thiophen-2-ylpentanenitrile IUPAC Name: 5-[4-[2-(4-fluoro-2-isocyanophenoxy)ethyl]piperazin-1-yl]-2-propan-2-yl-2-thiophen-2-ylpentanenitrile Traditional Name: 5-[4-[2-(4-fluoro-2-isocyano-phenoxy)ethyl]piperazino]-2-isopropyl-2-(2-thienyl)valeronitrile Formula: C25H31FN4OS MolecularWeight: 454.603243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)CCOC2=C(C=C(C=C2)F)[N+]#[C-])(C#N)C3=CC=CS3

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CCOC2=C(C=C(C=C2)F)[N+]#[C-])(C#N)C3=CC=CS3

InChI

InChI=1S/C25H31FN4OS/c1-20(2)25(19-27,24-6-4-17-32-24)9-5-10-29-11-13-30(14-12-29)15-16-31-23-8-7-21(26)18-22(23)28-3/h4,6-8,17-18,20H,5,9-16H2,1-2H3