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

Systemtic Name: 4-[5-(1-adamantyl)-2-[4-(trifluoromethyl)phenyl]-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[5-(1-adamantyl)-2-[4-(trifluoromethyl)phenyl]-1H-indol-3-yl]butan-1-amine CAS Name: 4-[5-(1-adamantyl)-2-[4-(trifluoromethyl)phenyl]-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[5-(1-adamantyl)-2-[4-(trifluoromethyl)phenyl]-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[5-(1-adamantyl)-2-[4-(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=C(C=C6)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C29H33F3N2/c30-29(31,32)22-6-4-21(5-7-22)27-24(3-1-2-10-33)25-14-23(8-9-26(25)34-27)28-15-18-11-19(16-28)13-20(12-18)17-28/h4-9,14,18-20,34H,1-3,10-13,15-17,33H2