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

Systemtic Name: 4-[4-chloranyl-2-(2,6-dimethoxyphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[4-chloro-2-(2,6-dimethoxyphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine CAS Name: 4-[4-chloro-2-(2,6-dimethoxyphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[4-chloro-2-(2,6-dimethoxyphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[4-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=C(C=CC(=C3N2)C(F)(F)F)Cl)CCCCN

Isomeric SMILES

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

InChI

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