4-[5-chloranyl-2-(2,6-dimethoxyphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine

Systemtic Name: 4-[5-chloranyl-2-(2,6-dimethoxyphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[5-chloro-2-(2,6-dimethoxyphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine CAS Name: 4-[5-chloro-2-(2,6-dimethoxyphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[5-chloro-2-(2,6-dimethoxyphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[5-chloro-2-(2,6-dimethoxyphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butylamine Formula: C21H22ClF3N2O2 MolecularWeight: 426.85979

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C2=C(C3=CC(=CC(=C3N2)C(F)(F)F)Cl)CCCCN

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C2=C(C3=CC(=CC(=C3N2)C(F)(F)F)Cl)CCCCN

InChI

InChI=1S/C21H22ClF3N2O2/c1-28-16-7-5-8-17(29-2)18(16)20-13(6-3-4-9-26)14-10-12(22)11-15(19(14)27-20)21(23,24)25/h5,7-8,10-11,27H,3-4,6,9,26H2,1-2H3