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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC5=C(C=C4)NC(=C5CCCCN)C6=CC=CC=C6C(F)(F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC5=C(C=C4)NC(=C5CCCCN)C6=CC=CC=C6C(F)(F)F

InChI

InChI=1S/C29H33F3N2/c30-29(31,32)25-7-2-1-6-23(25)27-22(5-3-4-10-33)24-14-21(8-9-26(24)34-27)28-15-18-11-19(16-28)13-20(12-18)17-28/h1-2,6-9,14,18-20,34H,3-5,10-13,15-17,33H2