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

Systemtic Name: 4-[4-chloranyl-2-(3-iodanylphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[4-chloro-2-(3-iodophenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine CAS Name: 4-[4-chloro-2-(3-iodophenyl)-7-(trifluoromethyl)-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[4-chloro-2-(3-iodophenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[4-chloro-2-(3-iodophenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butylamine Formula: C19H17ClF3IN2 MolecularWeight: 492.70436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClF3IN2/c20-15-8-7-14(19(21,22)23)18-16(15)13(6-1-2-9-25)17(26-18)11-4-3-5-12(24)10-11/h3-5,7-8,10,26H,1-2,6,9,25H2