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

Systemtic Name: 4-[5-(1-adamantyl)-2-(2,3-dimethoxyphenyl)-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[5-(1-adamantyl)-2-(2,3-dimethoxyphenyl)-1H-indol-3-yl]butan-1-amine CAS Name: 4-[5-(1-adamantyl)-2-(2,3-dimethoxyphenyl)-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[5-(1-adamantyl)-2-(2,3-dimethoxyphenyl)-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[5-(1-adamantyl)-2-(2,3-dimethoxyphenyl)-1H-indol-3-yl]butylamine Formula: C30H38N2O2 MolecularWeight: 458.63492

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C2=C(C3=C(N2)C=CC(=C3)C45CC6CC(C4)CC(C6)C5)CCCCN

Isomeric SMILES

COC1=CC=CC(=C1OC)C2=C(C3=C(N2)C=CC(=C3)C45CC6CC(C4)CC(C6)C5)CCCCN

InChI

InChI=1S/C30H38N2O2/c1-33-27-8-5-7-24(29(27)34-2)28-23(6-3-4-11-31)25-15-22(9-10-26(25)32-28)30-16-19-12-20(17-30)14-21(13-19)18-30/h5,7-10,15,19-21,32H,3-4,6,11-14,16-18,31H2,1-2H3