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

Systemtic Name: 5-[4-[2-(4-fluoranyl-2-isocyano-phenoxy)ethyl]piperazin-1-yl]-2-propan-2-yl-2-thiophen-3-yl-pentanenitrile Openeye Name: 5-[4-[2-(4-fluoro-2-isocyano-phenoxy)ethyl]piperazin-1-yl]-2-isopropyl-2-(3-thienyl)pentanenitrile CAS Name: 5-[4-[2-(4-fluoro-2-isocyanophenoxy)ethyl]-1-piperazinyl]-2-propan-2-yl-2-(3-thiophenyl)pentanenitrile IUPAC Name: 5-[4-[2-(4-fluoro-2-isocyanophenoxy)ethyl]piperazin-1-yl]-2-propan-2-yl-2-thiophen-3-ylpentanenitrile Traditional Name: 5-[4-[2-(4-fluoro-2-isocyano-phenoxy)ethyl]piperazino]-2-isopropyl-2-(3-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=CSC=C3

Isomeric SMILES

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

InChI

InChI=1S/C25H31FN4OS/c1-20(2)25(19-27,21-7-16-32-18-21)8-4-9-29-10-12-30(13-11-29)14-15-31-24-6-5-22(26)17-23(24)28-3/h5-7,16-18,20H,4,8-15H2,1-2H3