4-[1-[1-[2-(4-fluoranylphenoxy)ethyl]piperidin-4-yl]hexyl]-2-methyl-benzenecarbonitrile

Systemtic Name: 4-[1-[1-[2-(4-fluoranylphenoxy)ethyl]piperidin-4-yl]hexyl]-2-methyl-benzenecarbonitrile Openeye Name: 4-[1-[1-[2-(4-fluorophenoxy)ethyl]-4-piperidyl]hexyl]-2-methyl-benzonitrile CAS Name: 4-[1-[1-[2-(4-fluorophenoxy)ethyl]-4-piperidinyl]hexyl]-2-methylbenzonitrile IUPAC Name: 4-[1-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]hexyl]-2-methylbenzonitrile Traditional Name: 4-[1-[1-[2-(4-fluorophenoxy)ethyl]-4-piperidyl]hexyl]-2-methyl-benzonitrile Formula: C27H35FN2O MolecularWeight: 422.578003

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1CCN(CC1)CCOC2=CC=C(C=C2)F)C3=CC(=C(C=C3)C#N)C

Isomeric SMILES

CCCCCC(C1CCN(CC1)CCOC2=CC=C(C=C2)F)C3=CC(=C(C=C3)C#N)C

InChI

InChI=1S/C27H35FN2O/c1-3-4-5-6-27(23-7-8-24(20-29)21(2)19-23)22-13-15-30(16-14-22)17-18-31-26-11-9-25(28)10-12-26/h7-12,19,22,27H,3-6,13-18H2,1-2H3