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

Systemtic Name: 7-(4-fluoranylphenoxy)-2-(2-methylpropyl)-2-phenyl-6-piperazin-1-yl-heptanenitrile Openeye Name: 7-(4-fluorophenoxy)-2-isobutyl-2-phenyl-6-piperazin-1-yl-heptanenitrile CAS Name: 7-(4-fluorophenoxy)-2-(2-methylpropyl)-2-phenyl-6-(1-piperazinyl)heptanenitrile IUPAC Name: 7-(4-fluorophenoxy)-2-(2-methylpropyl)-2-phenyl-6-piperazin-1-ylheptanenitrile Traditional Name: 7-(4-fluorophenoxy)-2-isobutyl-2-phenyl-6-piperazino-enanthonitrile Formula: C27H36FN3O MolecularWeight: 437.592643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36FN3O/c1-22(2)19-27(21-29,23-7-4-3-5-8-23)14-6-9-25(31-17-15-30-16-18-31)20-32-26-12-10-24(28)11-13-26/h3-5,7-8,10-13,22,25,30H,6,9,14-20H2,1-2H3