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

Systemtic Name: 4-[1-[4-[3-(4-fluoranylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]hexyl]-2-methyl-benzenecarbonitrile Openeye Name: 4-[1-[4-[3-(4-fluorophenoxy)-2-hydroxy-propyl]piperazin-1-yl]hexyl]-2-methyl-benzonitrile CAS Name: 4-[1-[4-[3-(4-fluorophenoxy)-2-hydroxypropyl]-1-piperazinyl]hexyl]-2-methylbenzonitrile IUPAC Name: 4-[1-[4-[3-(4-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]hexyl]-2-methylbenzonitrile Traditional Name: 4-[1-[4-[3-(4-fluorophenoxy)-2-hydroxy-propyl]piperazino]hexyl]-2-methyl-benzonitrile Formula: C27H36FN3O2 MolecularWeight: 453.592043

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CC(COC3=CC=C(C=C3)F)O

Isomeric SMILES

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CC(COC3=CC=C(C=C3)F)O

InChI

InChI=1S/C27H36FN3O2/c1-3-4-5-6-27(22-7-8-23(18-29)21(2)17-22)31-15-13-30(14-16-31)19-25(32)20-33-26-11-9-24(28)10-12-26/h7-12,17,25,27,32H,3-6,13-16,19-20H2,1-2H3