4-[1-[4-[3-(4-fluorophenyl)-3-oxidanyl-propyl]piperazin-1-yl]hexyl]-2-methyl-benzenecarbonitrile

Systemtic Name: 4-[1-[4-[3-(4-fluorophenyl)-3-oxidanyl-propyl]piperazin-1-yl]hexyl]-2-methyl-benzenecarbonitrile Openeye Name: 4-[1-[4-[3-(4-fluorophenyl)-3-hydroxy-propyl]piperazin-1-yl]hexyl]-2-methyl-benzonitrile CAS Name: 4-[1-[4-[3-(4-fluorophenyl)-3-hydroxypropyl]-1-piperazinyl]hexyl]-2-methylbenzonitrile IUPAC Name: 4-[1-[4-[3-(4-fluorophenyl)-3-hydroxypropyl]piperazin-1-yl]hexyl]-2-methylbenzonitrile Traditional Name: 4-[1-[4-[3-(4-fluorophenyl)-3-hydroxy-propyl]piperazino]hexyl]-2-methyl-benzonitrile Formula: C27H36FN3O MolecularWeight: 437.592643

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CCC(C3=CC=C(C=C3)F)O

Isomeric SMILES

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CCC(C3=CC=C(C=C3)F)O

InChI

InChI=1S/C27H36FN3O/c1-3-4-5-6-26(23-7-8-24(20-29)21(2)19-23)31-17-15-30(16-18-31)14-13-27(32)22-9-11-25(28)12-10-22/h7-12,19,26-27,32H,3-6,13-18H2,1-2H3