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

Systemtic Name: 4-[5-(1-adamantyl)-2-(5-bromanylpyridin-3-yl)-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[5-(1-adamantyl)-2-(5-bromo-3-pyridyl)-1H-indol-3-yl]butan-1-amine CAS Name: 4-[5-(1-adamantyl)-2-(5-bromo-3-pyridinyl)-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[5-(1-adamantyl)-2-(5-bromopyridin-3-yl)-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[5-(1-adamantyl)-2-(5-bromo-3-pyridyl)-1H-indol-3-yl]butylamine Formula: C27H32BrN3 MolecularWeight: 478.46708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32BrN3/c28-22-10-20(15-30-16-22)26-23(3-1-2-6-29)24-11-21(4-5-25(24)31-26)27-12-17-7-18(13-27)9-19(8-17)14-27/h4-5,10-11,15-19,31H,1-3,6-9,12-14,29H2