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

Systemtic Name: 4-[5-chloranyl-2-(3,5-dimethylphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[5-chloro-2-(3,5-dimethylphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine CAS Name: 4-[5-chloro-2-(3,5-dimethylphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[5-chloro-2-(3,5-dimethylphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[5-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=CC(=CC(=C3N2)C(F)(F)F)Cl)CCCCN)C

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClF3N2/c1-12-7-13(2)9-14(8-12)19-16(5-3-4-6-26)17-10-15(22)11-18(20(17)27-19)21(23,24)25/h7-11,27H,3-6,26H2,1-2H3