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

Systemtic Name: 7-(4-fluoranylphenoxy)-2-(4-methylphenyl)-6-piperazin-1-yl-2-propan-2-yl-heptanenitrile Openeye Name: 7-(4-fluorophenoxy)-2-isopropyl-6-piperazin-1-yl-2-(p-tolyl)heptanenitrile CAS Name: 7-(4-fluorophenoxy)-2-(4-methylphenyl)-6-(1-piperazinyl)-2-propan-2-ylheptanenitrile IUPAC Name: 7-(4-fluorophenoxy)-2-(4-methylphenyl)-6-piperazin-1-yl-2-propan-2-ylheptanenitrile Traditional Name: 7-(4-fluorophenoxy)-2-isopropyl-6-piperazino-2-(p-tolyl)enanthonitrile Formula: C27H36FN3O MolecularWeight: 437.592643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CCCC(COC2=CC=C(C=C2)F)N3CCNCC3)(C#N)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(CCCC(COC2=CC=C(C=C2)F)N3CCNCC3)(C#N)C(C)C

InChI

InChI=1S/C27H36FN3O/c1-21(2)27(20-29,23-8-6-22(3)7-9-23)14-4-5-25(31-17-15-30-16-18-31)19-32-26-12-10-24(28)11-13-26/h6-13,21,25,30H,4-5,14-19H2,1-3H3