10-[3-[2,3,4,5,6-pentakis(fluoranyl)phenoxy]propyl]-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole hydrochloride

Systemtic Name: 10-[3-[2,3,4,5,6-pentakis(fluoranyl)phenoxy]propyl]-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole hydrochloride Openeye Name: 10-[3-(2,3,4,5,6-pentafluorophenoxy)propyl]-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole hydrochloride CAS Name: 10-[3-(2,3,4,5,6-pentafluorophenoxy)propyl]-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole hydrochloride IUPAC Name: 10-[3-(2,3,4,5,6-pentafluorophenoxy)propyl]-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole hydrochloride Traditional Name: 10-[3-(2,3,4,5,6-pentafluorophenoxy)propyl]-1,2,3,4,5,6-hexahydroazepin[4,5-b]indole hydrochloride Formula: C21H20ClF5N2O MolecularWeight: 446.841316

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC2=C1C3=C(C=CC=C3N2)CCCOC4=C(C(=C(C(=C4F)F)F)F)F.Cl

Isomeric SMILES

C1CNCCC2=C1C3=C(C=CC=C3N2)CCCOC4=C(C(=C(C(=C4F)F)F)F)F.Cl

InChI

InChI=1S/C21H19F5N2O.ClH/c22-16-17(23)19(25)21(20(26)18(16)24)29-10-2-4-11-3-1-5-14-15(11)12-6-8-27-9-7-13(12)28-14;/h1,3,5,27-28H,2,4,6-10H2;1H