6-(4-fluoranylphenoxy)-8-oxidanyl-2-phenyl-7-piperazin-1-yl-2-propan-2-yl-octanenitrile

Systemtic Name: 6-(4-fluoranylphenoxy)-8-oxidanyl-2-phenyl-7-piperazin-1-yl-2-propan-2-yl-octanenitrile Openeye Name: 6-(4-fluorophenoxy)-8-hydroxy-2-isopropyl-2-phenyl-7-piperazin-1-yl-octanenitrile CAS Name: 6-(4-fluorophenoxy)-8-hydroxy-2-phenyl-7-(1-piperazinyl)-2-propan-2-yloctanenitrile IUPAC Name: 6-(4-fluorophenoxy)-8-hydroxy-2-phenyl-7-piperazin-1-yl-2-propan-2-yloctanenitrile Traditional Name: 6-(4-fluorophenoxy)-8-hydroxy-2-isopropyl-2-phenyl-7-piperazino-caprylonitrile Formula: C27H36FN3O2 MolecularWeight: 453.592043

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCC(C(CO)N1CCNCC1)OC2=CC=C(C=C2)F)(C#N)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(CCCC(C(CO)N1CCNCC1)OC2=CC=C(C=C2)F)(C#N)C3=CC=CC=C3

InChI

InChI=1S/C27H36FN3O2/c1-21(2)27(20-29,22-7-4-3-5-8-22)14-6-9-26(33-24-12-10-23(28)11-13-24)25(19-32)31-17-15-30-16-18-31/h3-5,7-8,10-13,21,25-26,30,32H,6,9,14-19H2,1-2H3