7-(4-fluoranylphenoxy)-2-(2-oxidanylpropan-2-yl)-2-phenyl-6-piperazin-1-yl-heptanenitrile

Systemtic Name: 7-(4-fluoranylphenoxy)-2-(2-oxidanylpropan-2-yl)-2-phenyl-6-piperazin-1-yl-heptanenitrile Openeye Name: 7-(4-fluorophenoxy)-2-(1-hydroxy-1-methyl-ethyl)-2-phenyl-6-piperazin-1-yl-heptanenitrile CAS Name: 7-(4-fluorophenoxy)-2-(2-hydroxypropan-2-yl)-2-phenyl-6-(1-piperazinyl)heptanenitrile IUPAC Name: 7-(4-fluorophenoxy)-2-(2-hydroxypropan-2-yl)-2-phenyl-6-piperazin-1-ylheptanenitrile Traditional Name: 7-(4-fluorophenoxy)-2-(1-hydroxy-1-methyl-ethyl)-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=CC=C(C=C1)F)N2CCNCC2)(C#N)C3=CC=CC=C3)O

Isomeric SMILES

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

InChI

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