N-(1-adamantylmethyl)-1-[2-(trifluoromethyl)-7,8-dihydro-3H-[1,4]dioxino[2,3-e]benzimidazol-8-yl]methanamine

Systemtic Name: N-(1-adamantylmethyl)-1-[2-(trifluoromethyl)-7,8-dihydro-3H-[1,4]dioxino[2,3-e]benzimidazol-8-yl]methanamine Openeye Name: N-(1-adamantylmethyl)-1-[2-(trifluoromethyl)-7,8-dihydro-3H-[1,4]dioxino[2,3-e]benzimidazol-8-yl]methanamine CAS Name: N-(1-adamantylmethyl)-1-[2-(trifluoromethyl)-7,8-dihydro-3H-[1,4]dioxino[2,3-e]benzimidazol-8-yl]methanamine IUPAC Name: N-(1-adamantylmethyl)-1-[2-(trifluoromethyl)-7,8-dihydro-3H-[1,4]dioxino[2,3-e]benzimidazol-8-yl]methanamine Traditional Name: 1-adamantylmethyl-[[2-(trifluoromethyl)-7,8-dihydro-3H-[1,4]dioxino[2,3-e]benzimidazol-8-yl]methyl]amine Formula: C22H26F3N3O2 MolecularWeight: 421.45595

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNCC4COC5=C(O4)C6=C(C=C5)NC(=N6)C(F)(F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNCC4COC5=C(O4)C6=C(C=C5)NC(=N6)C(F)(F)F

InChI

InChI=1S/C22H26F3N3O2/c23-22(24,25)20-27-16-1-2-17-19(18(16)28-20)30-15(10-29-17)9-26-11-21-6-12-3-13(7-21)5-14(4-12)8-21/h1-2,12-15,26H,3-11H2,(H,27,28)