3-[6-(5-bromanylthiophen-2-yl)-6-cyano-7-methyl-2-piperazin-1-yl-octoxy]benzenecarbonitrile

Systemtic Name: 3-[6-(5-bromanylthiophen-2-yl)-6-cyano-7-methyl-2-piperazin-1-yl-octoxy]benzenecarbonitrile Openeye Name: 3-[6-(5-bromo-2-thienyl)-6-cyano-7-methyl-2-piperazin-1-yl-octoxy]benzonitrile CAS Name: 3-[6-(5-bromo-2-thiophenyl)-6-cyano-7-methyl-2-(1-piperazinyl)octoxy]benzonitrile IUPAC Name: 3-[6-(5-bromothiophen-2-yl)-6-cyano-7-methyl-2-piperazin-1-yloctoxy]benzonitrile Traditional Name: 3-[6-(5-bromo-2-thienyl)-6-cyano-7-methyl-2-piperazino-octoxy]benzonitrile Formula: C25H31BrN4OS MolecularWeight: 515.50884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCC(COC1=CC=CC(=C1)C#N)N2CCNCC2)(C#N)C3=CC=C(S3)Br

Isomeric SMILES

CC(C)C(CCCC(COC1=CC=CC(=C1)C#N)N2CCNCC2)(C#N)C3=CC=C(S3)Br

InChI

InChI=1S/C25H31BrN4OS/c1-19(2)25(18-28,23-8-9-24(26)32-23)10-4-6-21(30-13-11-29-12-14-30)17-31-22-7-3-5-20(15-22)16-27/h3,5,7-9,15,19,21,29H,4,6,10-14,17H2,1-2H3