2-(2-chlorophenyl)-7-(4-fluoranylphenoxy)-6-piperazin-1-yl-2-propan-2-yl-heptanenitrile

Systemtic Name: 2-(2-chlorophenyl)-7-(4-fluoranylphenoxy)-6-piperazin-1-yl-2-propan-2-yl-heptanenitrile Openeye Name: 2-(2-chlorophenyl)-7-(4-fluorophenoxy)-2-isopropyl-6-piperazin-1-yl-heptanenitrile CAS Name: 2-(2-chlorophenyl)-7-(4-fluorophenoxy)-6-(1-piperazinyl)-2-propan-2-ylheptanenitrile IUPAC Name: 2-(2-chlorophenyl)-7-(4-fluorophenoxy)-6-piperazin-1-yl-2-propan-2-ylheptanenitrile Traditional Name: 2-(2-chlorophenyl)-7-(4-fluorophenoxy)-2-isopropyl-6-piperazino-enanthonitrile Formula: C26H33ClFN3O MolecularWeight: 458.011123

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCC(COC1=CC=C(C=C1)F)N2CCNCC2)(C#N)C3=CC=CC=C3Cl

Isomeric SMILES

CC(C)C(CCCC(COC1=CC=C(C=C1)F)N2CCNCC2)(C#N)C3=CC=CC=C3Cl

InChI

InChI=1S/C26H33ClFN3O/c1-20(2)26(19-29,24-7-3-4-8-25(24)27)13-5-6-22(31-16-14-30-15-17-31)18-32-23-11-9-21(28)10-12-23/h3-4,7-12,20,22,30H,5-6,13-18H2,1-2H3