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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H38N2O2/c1-33-24-12-22(13-25(15-24)34-2)29-26(5-3-4-8-31)27-14-23(6-7-28(27)32-29)30-16-19-9-20(17-30)11-21(10-19)18-30/h6-7,12-15,19-21,32H,3-5,8-11,16-18,31H2,1-2H3