4-[5-(1-adamantyl)-2-[3-(trifluoromethyl)phenyl]-1H-indol-3-yl]butan-1-amine

Systemtic Name: 4-[5-(1-adamantyl)-2-[3-(trifluoromethyl)phenyl]-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[5-(1-adamantyl)-2-[3-(trifluoromethyl)phenyl]-1H-indol-3-yl]butan-1-amine CAS Name: 4-[5-(1-adamantyl)-2-[3-(trifluoromethyl)phenyl]-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[5-(1-adamantyl)-2-[3-(trifluoromethyl)phenyl]-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[5-(1-adamantyl)-2-[3-(trifluoromethyl)phenyl]-1H-indol-3-yl]butylamine Formula: C29H33F3N2 MolecularWeight: 466.58093

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC5=C(C=C4)NC(=C5CCCCN)C6=CC(=CC=C6)C(F)(F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC5=C(C=C4)NC(=C5CCCCN)C6=CC(=CC=C6)C(F)(F)F

InChI

InChI=1S/C29H33F3N2/c30-29(31,32)23-5-3-4-21(13-23)27-24(6-1-2-9-33)25-14-22(7-8-26(25)34-27)28-15-18-10-19(16-28)12-20(11-18)17-28/h3-5,7-8,13-14,18-20,34H,1-2,6,9-12,15-17,33H2