7-(4-fluoranyl-2-oxidanyl-phenoxy)-2-phenyl-6-piperazin-1-yl-2-propan-2-yl-heptanenitrile

Systemtic Name: 7-(4-fluoranyl-2-oxidanyl-phenoxy)-2-phenyl-6-piperazin-1-yl-2-propan-2-yl-heptanenitrile Openeye Name: 7-(4-fluoro-2-hydroxy-phenoxy)-2-isopropyl-2-phenyl-6-piperazin-1-yl-heptanenitrile CAS Name: 7-(4-fluoro-2-hydroxyphenoxy)-2-phenyl-6-(1-piperazinyl)-2-propan-2-ylheptanenitrile IUPAC Name: 7-(4-fluoro-2-hydroxyphenoxy)-2-phenyl-6-piperazin-1-yl-2-propan-2-ylheptanenitrile Traditional Name: 7-(4-fluoro-2-hydroxy-phenoxy)-2-isopropyl-2-phenyl-6-piperazino-enanthonitrile Formula: C26H34FN3O2 MolecularWeight: 439.565463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34FN3O2/c1-20(2)26(19-28,21-7-4-3-5-8-21)12-6-9-23(30-15-13-29-14-16-30)18-32-25-11-10-22(27)17-24(25)31/h3-5,7-8,10-11,17,20,23,29,31H,6,9,12-16,18H2,1-2H3