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

Systemtic Name: 4-[5-(1-adamantyl)-2-(5-bromanyl-2-chloranyl-phenyl)-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[5-(1-adamantyl)-2-(5-bromo-2-chloro-phenyl)-1H-indol-3-yl]butan-1-amine CAS Name: 4-[5-(1-adamantyl)-2-(5-bromo-2-chlorophenyl)-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[5-(1-adamantyl)-2-(5-bromo-2-chlorophenyl)-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[5-(1-adamantyl)-2-(5-bromo-2-chloro-phenyl)-1H-indol-3-yl]butylamine Formula: C28H32BrClN2 MolecularWeight: 511.92408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32BrClN2/c29-21-5-6-25(30)24(13-21)27-22(3-1-2-8-31)23-12-20(4-7-26(23)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