2-(6-cyano-7-methyl-2-piperazin-1-yl-6-thiophen-2-yl-octoxy)-5-fluoranyl-benzenecarbonitrile

Systemtic Name: 2-(6-cyano-7-methyl-2-piperazin-1-yl-6-thiophen-2-yl-octoxy)-5-fluoranyl-benzenecarbonitrile Openeye Name: 2-[6-cyano-7-methyl-2-piperazin-1-yl-6-(2-thienyl)octoxy]-5-fluoro-benzonitrile CAS Name: 2-[6-cyano-7-methyl-2-(1-piperazinyl)-6-thiophen-2-yloctoxy]-5-fluorobenzonitrile IUPAC Name: 2-(6-cyano-7-methyl-2-piperazin-1-yl-6-thiophen-2-yloctoxy)-5-fluorobenzonitrile Traditional Name: 2-[6-cyano-7-methyl-2-piperazino-6-(2-thienyl)octoxy]-5-fluoro-benzonitrile Formula: C25H31FN4OS MolecularWeight: 454.603243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCC(COC1=C(C=C(C=C1)F)C#N)N2CCNCC2)(C#N)C3=CC=CS3

Isomeric SMILES

CC(C)C(CCCC(COC1=C(C=C(C=C1)F)C#N)N2CCNCC2)(C#N)C3=CC=CS3

InChI

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