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

Systemtic Name: 2-azanyl-3-fluoranyl-5-[1-oxidanyl-2-[6-(4-phenylbutoxy)hexylamino]ethyl]benzenecarbonitrile Openeye Name: 2-amino-3-fluoro-5-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]benzonitrile CAS Name: 2-amino-3-fluoro-5-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]benzonitrile IUPAC Name: 2-amino-3-fluoro-5-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]benzonitrile Traditional Name: 2-amino-3-fluoro-5-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]benzonitrile Formula: C25H34FN3O2 MolecularWeight: 427.554763

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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

Isomeric SMILES

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

InChI

InChI=1S/C25H34FN3O2/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