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2-azanyl-3-fluoranyl-5-[1-oxidanyl-2-[6-(4-phenylbutoxy)hexylamino]ethyl]benzenecarbonitrile hydrochloride

2-azanyl-3-fluoranyl-5-[1-oxidanyl-2-[6-(4-phenylbutoxy)hexylamino]ethyl]benzenecarbonitrile hydrochloride

Systemtic Name:2-azanyl-3-fluoranyl-5-[1-oxidanyl-2-[6-(4-phenylbutoxy)hexylamino]ethyl]benzenecarbonitrile hydrochloride
Openeye Name:2-amino-3-fluoro-5-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]benzonitrile hydrochloride
CAS Name:2-amino-3-fluoro-5-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]benzonitrile hydrochloride
IUPAC Name:2-amino-3-fluoro-5-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]benzonitrile hydrochloride
Traditional Name:2-amino-3-fluoro-5-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]benzonitrile hydrochloride
Formula: C25H35ClFN3O2
MolecularWeight: 464.015703
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCOCCCCCCNCC(C2=CC(=C(C(=C2)C#N)N)F)O.Cl


Isomeric SMILES

C1=CC=C(C=C1)CCCCOCCCCCCNCC(C2=CC(=C(C(=C2)C#N)N)F)O.Cl


InChI

InChI=1S/C25H34FN3O2.ClH/c26-23-17-21(16-22(18-27)25(23)28)24(30)19-29-13-7-1-2-8-14-31-15-9-6-12-20-10-4-3-5-11-20;/h3-5,10-11,16-17,24,29-30H,1-2,6-9,12-15,19,28H2;1H


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