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

Systemtic Name: 4-[5-(1-adamantyl)-2-(2-methoxyphenyl)-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[5-(1-adamantyl)-2-(2-methoxyphenyl)-1H-indol-3-yl]butan-1-amine CAS Name: 4-[5-(1-adamantyl)-2-(2-methoxyphenyl)-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[5-(1-adamantyl)-2-(2-methoxyphenyl)-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[5-(1-adamantyl)-2-(2-methoxyphenyl)-1H-indol-3-yl]butylamine Formula: C29H36N2O MolecularWeight: 428.60894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=C(C3=C(N2)C=CC(=C3)C45CC6CC(C4)CC(C6)C5)CCCCN

Isomeric SMILES

COC1=CC=CC=C1C2=C(C3=C(N2)C=CC(=C3)C45CC6CC(C4)CC(C6)C5)CCCCN

InChI

InChI=1S/C29H36N2O/c1-32-27-8-3-2-7-24(27)28-23(6-4-5-11-30)25-15-22(9-10-26(25)31-28)29-16-19-12-20(17-29)14-21(13-19)18-29/h2-3,7-10,15,19-21,31H,4-6,11-14,16-18,30H2,1H3