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

Systemtic Name: 7-[4-fluoranyl-2-(2-hydroxyethyloxy)phenoxy]-2-phenyl-6-piperazin-1-yl-2-propan-2-yl-heptanenitrile Openeye Name: 7-[4-fluoro-2-(2-hydroxyethoxy)phenoxy]-2-isopropyl-2-phenyl-6-piperazin-1-yl-heptanenitrile CAS Name: 7-[4-fluoro-2-(2-hydroxyethoxy)phenoxy]-2-phenyl-6-(1-piperazinyl)-2-propan-2-ylheptanenitrile IUPAC Name: 7-[4-fluoro-2-(2-hydroxyethoxy)phenoxy]-2-phenyl-6-piperazin-1-yl-2-propan-2-ylheptanenitrile Traditional Name: 7-[4-fluoro-2-(2-hydroxyethoxy)phenoxy]-2-isopropyl-2-phenyl-6-piperazino-enanthonitrile Formula: C28H38FN3O3 MolecularWeight: 483.618023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H38FN3O3/c1-22(2)28(21-30,23-7-4-3-5-8-23)12-6-9-25(32-15-13-31-14-16-32)20-35-26-11-10-24(29)19-27(26)34-18-17-33/h3-5,7-8,10-11,19,22,25,31,33H,6,9,12-18,20H2,1-2H3