7-(4-fluoranylphenoxy)-2-(4-hydroxyphenyl)-6-piperazin-1-yl-2-propan-2-yl-heptanenitrile

Systemtic Name: 7-(4-fluoranylphenoxy)-2-(4-hydroxyphenyl)-6-piperazin-1-yl-2-propan-2-yl-heptanenitrile Openeye Name: 7-(4-fluorophenoxy)-2-(4-hydroxyphenyl)-2-isopropyl-6-piperazin-1-yl-heptanenitrile CAS Name: 7-(4-fluorophenoxy)-2-(4-hydroxyphenyl)-6-(1-piperazinyl)-2-propan-2-ylheptanenitrile IUPAC Name: 7-(4-fluorophenoxy)-2-(4-hydroxyphenyl)-6-piperazin-1-yl-2-propan-2-ylheptanenitrile Traditional Name: 7-(4-fluorophenoxy)-2-(4-hydroxyphenyl)-2-isopropyl-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=C(C=C3)O

Isomeric SMILES

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

InChI

InChI=1S/C26H34FN3O2/c1-20(2)26(19-28,21-5-9-24(31)10-6-21)13-3-4-23(30-16-14-29-15-17-30)18-32-25-11-7-22(27)8-12-25/h5-12,20,23,29,31H,3-4,13-18H2,1-2H3