4-[2-[4-(4-cyano-5-methyl-4-thiophen-2-yl-hexyl)piperazin-1-yl]ethoxy]-3-fluoranyl-benzenecarbonitrile

Systemtic Name: 4-[2-[4-(4-cyano-5-methyl-4-thiophen-2-yl-hexyl)piperazin-1-yl]ethoxy]-3-fluoranyl-benzenecarbonitrile Openeye Name: 4-[2-[4-[4-cyano-5-methyl-4-(2-thienyl)hexyl]piperazin-1-yl]ethoxy]-3-fluoro-benzonitrile CAS Name: 4-[2-[4-(4-cyano-5-methyl-4-thiophen-2-ylhexyl)-1-piperazinyl]ethoxy]-3-fluorobenzonitrile IUPAC Name: 4-[2-[4-(4-cyano-5-methyl-4-thiophen-2-ylhexyl)piperazin-1-yl]ethoxy]-3-fluorobenzonitrile Traditional Name: 4-[2-[4-[4-cyano-5-methyl-4-(2-thienyl)hexyl]piperazino]ethoxy]-3-fluoro-benzonitrile Formula: C25H31FN4OS MolecularWeight: 454.603243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31FN4OS/c1-20(2)25(19-28,24-5-3-16-32-24)8-4-9-29-10-12-30(13-11-29)14-15-31-23-7-6-21(18-27)17-22(23)26/h3,5-7,16-17,20H,4,8-15H2,1-2H3