4-[5-(1-adamantyl)-2-(5-bromanylquinolin-8-yl)-1H-indol-3-yl]butan-1-amine

Systemtic Name: 4-[5-(1-adamantyl)-2-(5-bromanylquinolin-8-yl)-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[5-(1-adamantyl)-2-(5-bromo-8-quinolyl)-1H-indol-3-yl]butan-1-amine CAS Name: 4-[5-(1-adamantyl)-2-(5-bromo-8-quinolinyl)-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[5-(1-adamantyl)-2-(5-bromoquinolin-8-yl)-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[5-(1-adamantyl)-2-(5-bromo-8-quinolyl)-1H-indol-3-yl]butylamine Formula: C31H34BrN3 MolecularWeight: 528.52576

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC5=C(C=C4)NC(=C5CCCCN)C6=C7C(=C(C=C6)Br)C=CC=N7

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC5=C(C=C4)NC(=C5CCCCN)C6=C7C(=C(C=C6)Br)C=CC=N7

InChI

InChI=1S/C31H34BrN3/c32-27-8-7-25(29-24(27)5-3-11-34-29)30-23(4-1-2-10-33)26-15-22(6-9-28(26)35-30)31-16-19-12-20(17-31)14-21(13-19)18-31/h3,5-9,11,15,19-21,35H,1-2,4,10,12-14,16-18,33H2