4-[2-(2-iodanylphenyl)-4,6-bis(trifluoromethyl)-1H-indol-3-yl]butan-1-amine

Systemtic Name: 4-[2-(2-iodanylphenyl)-4,6-bis(trifluoromethyl)-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[2-(2-iodophenyl)-4,6-bis(trifluoromethyl)-1H-indol-3-yl]butan-1-amine CAS Name: 4-[2-(2-iodophenyl)-4,6-bis(trifluoromethyl)-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[2-(2-iodophenyl)-4,6-bis(trifluoromethyl)-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[2-(2-iodophenyl)-4,6-bis(trifluoromethyl)-1H-indol-3-yl]butylamine Formula: C20H17F6IN2 MolecularWeight: 526.257269

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17F6IN2/c21-19(22,23)11-9-14(20(24,25)26)17-13(6-3-4-8-28)18(29-16(17)10-11)12-5-1-2-7-15(12)27/h1-2,5,7,9-10,29H,3-4,6,8,28H2