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

Systemtic Name: 4-[1-[4-[2-(4-fluoranylphenoxy)-3-propoxy-propyl]piperazin-1-yl]hexyl]-2-methyl-benzenecarbonitrile Openeye Name: 4-[1-[4-[2-(4-fluorophenoxy)-3-propoxy-propyl]piperazin-1-yl]hexyl]-2-methyl-benzonitrile CAS Name: 4-[1-[4-[2-(4-fluorophenoxy)-3-propoxypropyl]-1-piperazinyl]hexyl]-2-methylbenzonitrile IUPAC Name: 4-[1-[4-[2-(4-fluorophenoxy)-3-propoxypropyl]piperazin-1-yl]hexyl]-2-methylbenzonitrile Traditional Name: 4-[1-[4-[2-(4-fluorophenoxy)-3-propoxy-propyl]piperazino]hexyl]-2-methyl-benzonitrile Formula: C30H42FN3O2 MolecularWeight: 495.671783

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CC(COCCC)OC3=CC=C(C=C3)F

Isomeric SMILES

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CC(COCCC)OC3=CC=C(C=C3)F

InChI

InChI=1S/C30H42FN3O2/c1-4-6-7-8-30(25-9-10-26(21-32)24(3)20-25)34-17-15-33(16-18-34)22-29(23-35-19-5-2)36-28-13-11-27(31)12-14-28/h9-14,20,29-30H,4-8,15-19,22-23H2,1-3H3