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

Systemtic Name: 4-[2-(3-iodanylphenyl)-4,6-bis(trifluoromethyl)-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[2-(3-iodophenyl)-4,6-bis(trifluoromethyl)-1H-indol-3-yl]butan-1-amine CAS Name: 4-[2-(3-iodophenyl)-4,6-bis(trifluoromethyl)-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[2-(3-iodophenyl)-4,6-bis(trifluoromethyl)-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[2-(3-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(=CC(=C1)I)C2=C(C3=C(C=C(C=C3N2)C(F)(F)F)C(F)(F)F)CCCCN

Isomeric SMILES

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

InChI

InChI=1S/C20H17F6IN2/c21-19(22,23)12-9-15(20(24,25)26)17-14(6-1-2-7-28)18(29-16(17)10-12)11-4-3-5-13(27)8-11/h3-5,8-10,29H,1-2,6-7,28H2