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

Systemtic Name: 4-[4-chloranyl-2-(3,5-dimethylphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[4-chloro-2-(3,5-dimethylphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine CAS Name: 4-[4-chloro-2-(3,5-dimethylphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[4-chloro-2-(3,5-dimethylphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[4-chloro-2-(3,5-dimethylphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butylamine Formula: C21H22ClF3N2 MolecularWeight: 394.86099

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=C(C3=C(C=CC(=C3N2)C(F)(F)F)Cl)CCCCN)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=C(C3=C(C=CC(=C3N2)C(F)(F)F)Cl)CCCCN)C

InChI

InChI=1S/C21H22ClF3N2/c1-12-9-13(2)11-14(10-12)19-15(5-3-4-8-26)18-17(22)7-6-16(20(18)27-19)21(23,24)25/h6-7,9-11,27H,3-5,8,26H2,1-2H3