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

Systemtic Name: 4-[5-(1-adamantyl)-2-(2-chloranyl-4-fluoranyl-phenyl)-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[5-(1-adamantyl)-2-(2-chloro-4-fluoro-phenyl)-1H-indol-3-yl]butan-1-amine CAS Name: 4-[5-(1-adamantyl)-2-(2-chloro-4-fluorophenyl)-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[5-(1-adamantyl)-2-(2-chloro-4-fluorophenyl)-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[5-(1-adamantyl)-2-(2-chloro-4-fluoro-phenyl)-1H-indol-3-yl]butylamine Formula: C28H32ClFN2 MolecularWeight: 451.018483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32ClFN2/c29-25-13-21(30)5-6-23(25)27-22(3-1-2-8-31)24-12-20(4-7-26(24)32-27)28-14-17-9-18(15-28)11-19(10-17)16-28/h4-7,12-13,17-19,32H,1-3,8-11,14-16,31H2