4-[2-(5-bromanyl-2-methoxy-phenyl)-4,6-bis(trifluoromethyl)-1H-indol-3-yl]butan-1-amine

Systemtic Name: 4-[2-(5-bromanyl-2-methoxy-phenyl)-4,6-bis(trifluoromethyl)-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[2-(5-bromo-2-methoxy-phenyl)-4,6-bis(trifluoromethyl)-1H-indol-3-yl]butan-1-amine CAS Name: 4-[2-(5-bromo-2-methoxyphenyl)-4,6-bis(trifluoromethyl)-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[2-(5-bromo-2-methoxyphenyl)-4,6-bis(trifluoromethyl)-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[2-(5-bromo-2-methoxy-phenyl)-4,6-bis(trifluoromethyl)-1H-indol-3-yl]butylamine Formula: C21H19BrF6N2O MolecularWeight: 509.282779

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C2=C(C3=C(C=C(C=C3N2)C(F)(F)F)C(F)(F)F)CCCCN

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C2=C(C3=C(C=C(C=C3N2)C(F)(F)F)C(F)(F)F)CCCCN

InChI

InChI=1S/C21H19BrF6N2O/c1-31-17-6-5-12(22)10-14(17)19-13(4-2-3-7-29)18-15(21(26,27)28)8-11(20(23,24)25)9-16(18)30-19/h5-6,8-10,30H,2-4,7,29H2,1H3