4-[2-(5-bromanyl-2-methoxy-phenyl)-5-(trifluoromethyloxy)-1H-indol-3-yl]butan-1-amine

Systemtic Name: 4-[2-(5-bromanyl-2-methoxy-phenyl)-5-(trifluoromethyloxy)-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[2-(5-bromo-2-methoxy-phenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]butan-1-amine CAS Name: 4-[2-(5-bromo-2-methoxyphenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[2-(5-bromo-2-methoxyphenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[2-(5-bromo-2-methoxy-phenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]butylamine Formula: C20H20BrF3N2O2 MolecularWeight: 457.28421

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C2=C(C3=C(N2)C=CC(=C3)OC(F)(F)F)CCCCN

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C2=C(C3=C(N2)C=CC(=C3)OC(F)(F)F)CCCCN

InChI

InChI=1S/C20H20BrF3N2O2/c1-27-18-8-5-12(21)10-16(18)19-14(4-2-3-9-25)15-11-13(28-20(22,23)24)6-7-17(15)26-19/h5-8,10-11,26H,2-4,9,25H2,1H3