N-[4-[3-cyano-8-(4-fluoranylphenoxy)-2-methyl-7-piperazin-1-yl-octan-3-yl]phenyl]ethanamide

Systemtic Name: N-[4-[3-cyano-8-(4-fluoranylphenoxy)-2-methyl-7-piperazin-1-yl-octan-3-yl]phenyl]ethanamide Openeye Name: N-[4-[1-cyano-6-(4-fluorophenoxy)-1-isopropyl-5-piperazin-1-yl-hexyl]phenyl]acetamide CAS Name: N-[4-[3-cyano-8-(4-fluorophenoxy)-2-methyl-7-(1-piperazinyl)octan-3-yl]phenyl]acetamide IUPAC Name: N-[4-[3-cyano-8-(4-fluorophenoxy)-2-methyl-7-piperazin-1-yloctan-3-yl]phenyl]acetamide Traditional Name: N-[4-[1-cyano-6-(4-fluorophenoxy)-1-isopropyl-5-piperazino-hexyl]phenyl]acetamide Formula: C28H37FN4O2 MolecularWeight: 480.617383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H37FN4O2/c1-21(2)28(20-30,23-6-10-25(11-7-23)32-22(3)34)14-4-5-26(33-17-15-31-16-18-33)19-35-27-12-8-24(29)9-13-27/h6-13,21,26,31H,4-5,14-19H2,1-3H3,(H,32,34)