4-(6-cyano-7-methyl-2-piperazin-1-yl-6-thiophen-3-yl-octoxy)-3-fluoranyl-benzenecarbonitrile

Systemtic Name: 4-(6-cyano-7-methyl-2-piperazin-1-yl-6-thiophen-3-yl-octoxy)-3-fluoranyl-benzenecarbonitrile Openeye Name: 4-[6-cyano-7-methyl-2-piperazin-1-yl-6-(3-thienyl)octoxy]-3-fluoro-benzonitrile CAS Name: 4-[6-cyano-7-methyl-2-(1-piperazinyl)-6-(3-thiophenyl)octoxy]-3-fluorobenzonitrile IUPAC Name: 4-(6-cyano-7-methyl-2-piperazin-1-yl-6-thiophen-3-yloctoxy)-3-fluorobenzonitrile Traditional Name: 4-[6-cyano-7-methyl-2-piperazino-6-(3-thienyl)octoxy]-3-fluoro-benzonitrile Formula: C25H31FN4OS MolecularWeight: 454.603243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCC(COC1=C(C=C(C=C1)C#N)F)N2CCNCC2)(C#N)C3=CSC=C3

Isomeric SMILES

CC(C)C(CCCC(COC1=C(C=C(C=C1)C#N)F)N2CCNCC2)(C#N)C3=CSC=C3

InChI

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