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

Systemtic Name: 4-[4-chloranyl-2-(4-ethoxyphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[4-chloro-2-(4-ethoxyphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine CAS Name: 4-[4-chloro-2-(4-ethoxyphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[4-chloro-2-(4-ethoxyphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[4-chloro-2-p-phenetyl-7-(trifluoromethyl)-1H-indol-3-yl]butylamine Formula: C21H22ClF3N2O MolecularWeight: 410.86039

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(C3=C(C=CC(=C3N2)C(F)(F)F)Cl)CCCCN

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(C3=C(C=CC(=C3N2)C(F)(F)F)Cl)CCCCN

InChI

InChI=1S/C21H22ClF3N2O/c1-2-28-14-8-6-13(7-9-14)19-15(5-3-4-12-26)18-17(22)11-10-16(20(18)27-19)21(23,24)25/h6-11,27H,2-5,12,26H2,1H3