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

Systemtic Name: 4-[4-chloranyl-2-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[4-chloro-2-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine CAS Name: 4-[4-chloro-2-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[4-chloro-2-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[4-chloro-2-(3,4-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=C(C=C1)C2=C(C3=C(C=CC(=C3N2)C(F)(F)F)Cl)CCCCN)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClF3N2O2/c1-28-16-9-6-12(11-17(16)29-2)19-13(5-3-4-10-26)18-15(22)8-7-14(20(18)27-19)21(23,24)25/h6-9,11,27H,3-5,10,26H2,1-2H3