2-azanyl-1-fluoranyl-5-[1-oxidanyl-2-[6-(4-phenylbutoxy)hexylamino]ethyl]cyclohexa-2,4-diene-1-carbonitrile

Systemtic Name: 2-azanyl-1-fluoranyl-5-[1-oxidanyl-2-[6-(4-phenylbutoxy)hexylamino]ethyl]cyclohexa-2,4-diene-1-carbonitrile Openeye Name: 2-amino-1-fluoro-5-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]cyclohexa-2,4-diene-1-carbonitrile CAS Name: 2-amino-1-fluoro-5-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]-1-cyclohexa-2,4-dienecarbonitrile IUPAC Name: 2-amino-1-fluoro-5-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]cyclohexa-2,4-diene-1-carbonitrile Traditional Name: 2-amino-1-fluoro-5-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]cyclohexa-2,4-diene-1-carbonitrile Formula: C25H36FN3O2 MolecularWeight: 429.570643

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC=C(C1(C#N)F)N)C(CNCCCCCCOCCCCC2=CC=CC=C2)O

Isomeric SMILES

C1C(=CC=C(C1(C#N)F)N)C(CNCCCCCCOCCCCC2=CC=CC=C2)O

InChI

InChI=1S/C25H36FN3O2/c26-25(20-27)18-22(13-14-24(25)28)23(30)19-29-15-7-1-2-8-16-31-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,23,29-30H,1-2,6-9,12,15-19,28H2