N-[[2-methoxy-5-(trifluoromethyloxy)phenyl]methyl]-2-phenyl-azepan-3-amine

Systemtic Name: N-[[2-methoxy-5-(trifluoromethyloxy)phenyl]methyl]-2-phenyl-azepan-3-amine Openeye Name: N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-2-phenyl-azepan-3-amine CAS Name: N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-2-phenyl-3-azepanamine IUPAC Name: N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-2-phenylazepan-3-amine Traditional Name: [2-methoxy-5-(trifluoromethoxy)benzyl]-(2-phenylazepan-3-yl)amine Formula: C21H25F3N2O2 MolecularWeight: 394.43061

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)OC(F)(F)F)CNC2CCCCNC2C3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)OC(F)(F)F)CNC2CCCCNC2C3=CC=CC=C3

InChI

InChI=1S/C21H25F3N2O2/c1-27-19-11-10-17(28-21(22,23)24)13-16(19)14-26-18-9-5-6-12-25-20(18)15-7-3-2-4-8-15/h2-4,7-8,10-11,13,18,20,25-26H,5-6,9,12,14H2,1H3