7-(3-fluoranylphenoxy)-2-phenyl-6-piperazin-1-yl-2-propan-2-yl-heptanenitrile

Systemtic Name: 7-(3-fluoranylphenoxy)-2-phenyl-6-piperazin-1-yl-2-propan-2-yl-heptanenitrile Openeye Name: 7-(3-fluorophenoxy)-2-isopropyl-2-phenyl-6-piperazin-1-yl-heptanenitrile CAS Name: 7-(3-fluorophenoxy)-2-phenyl-6-(1-piperazinyl)-2-propan-2-ylheptanenitrile IUPAC Name: 7-(3-fluorophenoxy)-2-phenyl-6-piperazin-1-yl-2-propan-2-ylheptanenitrile Traditional Name: 7-(3-fluorophenoxy)-2-isopropyl-2-phenyl-6-piperazino-enanthonitrile Formula: C26H34FN3O MolecularWeight: 423.566063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34FN3O/c1-21(2)26(20-28,22-8-4-3-5-9-22)13-7-11-24(30-16-14-29-15-17-30)19-31-25-12-6-10-23(27)18-25/h3-6,8-10,12,18,21,24,29H,7,11,13-17,19H2,1-2H3