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

Systemtic Name: 4-[5-(1-adamantyl)-2-(5-bromanyl-2-methoxy-phenyl)-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[5-(1-adamantyl)-2-(5-bromo-2-methoxy-phenyl)-1H-indol-3-yl]butan-1-amine CAS Name: 4-[5-(1-adamantyl)-2-(5-bromo-2-methoxyphenyl)-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[5-(1-adamantyl)-2-(5-bromo-2-methoxyphenyl)-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[5-(1-adamantyl)-2-(5-bromo-2-methoxy-phenyl)-1H-indol-3-yl]butylamine Formula: C29H35BrN2O MolecularWeight: 507.505

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C2=C(C3=C(N2)C=CC(=C3)C45CC6CC(C4)CC(C6)C5)CCCCN

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C2=C(C3=C(N2)C=CC(=C3)C45CC6CC(C4)CC(C6)C5)CCCCN

InChI

InChI=1S/C29H35BrN2O/c1-33-27-8-6-22(30)14-25(27)28-23(4-2-3-9-31)24-13-21(5-7-26(24)32-28)29-15-18-10-19(16-29)12-20(11-18)17-29/h5-8,13-14,18-20,32H,2-4,9-12,15-17,31H2,1H3