7-(4-fluoranylphenoxy)-2-phenyl-6-piperazin-1-yl-2-propan-2-yl-nonanenitrile

Systemtic Name: 7-(4-fluoranylphenoxy)-2-phenyl-6-piperazin-1-yl-2-propan-2-yl-nonanenitrile Openeye Name: 7-(4-fluorophenoxy)-2-isopropyl-2-phenyl-6-piperazin-1-yl-nonanenitrile CAS Name: 7-(4-fluorophenoxy)-2-phenyl-6-(1-piperazinyl)-2-propan-2-ylnonanenitrile IUPAC Name: 7-(4-fluorophenoxy)-2-phenyl-6-piperazin-1-yl-2-propan-2-ylnonanenitrile Traditional Name: 7-(4-fluorophenoxy)-2-isopropyl-2-phenyl-6-piperazino-pelargononitrile Formula: C28H38FN3O MolecularWeight: 451.619223

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CCCC(C#N)(C1=CC=CC=C1)C(C)C)N2CCNCC2)OC3=CC=C(C=C3)F

Isomeric SMILES

CCC(C(CCCC(C#N)(C1=CC=CC=C1)C(C)C)N2CCNCC2)OC3=CC=C(C=C3)F

InChI

InChI=1S/C28H38FN3O/c1-4-27(33-25-14-12-24(29)13-15-25)26(32-19-17-31-18-20-32)11-8-16-28(21-30,22(2)3)23-9-6-5-7-10-23/h5-7,9-10,12-15,22,26-27,31H,4,8,11,16-20H2,1-3H3