7-[3,4-bis(fluoranyl)phenoxy]-2-phenyl-6-piperazin-1-yl-2-propan-2-yl-heptanenitrile

Systemtic Name: 7-[3,4-bis(fluoranyl)phenoxy]-2-phenyl-6-piperazin-1-yl-2-propan-2-yl-heptanenitrile Openeye Name: 7-(3,4-difluorophenoxy)-2-isopropyl-2-phenyl-6-piperazin-1-yl-heptanenitrile CAS Name: 7-(3,4-difluorophenoxy)-2-phenyl-6-(1-piperazinyl)-2-propan-2-ylheptanenitrile IUPAC Name: 7-(3,4-difluorophenoxy)-2-phenyl-6-piperazin-1-yl-2-propan-2-ylheptanenitrile Traditional Name: 7-(3,4-difluorophenoxy)-2-isopropyl-2-phenyl-6-piperazino-enanthonitrile Formula: C26H33F2N3O MolecularWeight: 441.556526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33F2N3O/c1-20(2)26(19-29,21-7-4-3-5-8-21)12-6-9-22(31-15-13-30-14-16-31)18-32-23-10-11-24(27)25(28)17-23/h3-5,7-8,10-11,17,20,22,30H,6,9,12-16,18H2,1-2H3