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

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

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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

Isomeric SMILES

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

InChI

InChI=1S/C29H36N2O/c1-32-24-6-4-5-22(14-24)28-25(7-2-3-10-30)26-15-23(8-9-27(26)31-28)29-16-19-11-20(17-29)13-21(12-19)18-29/h4-6,8-9,14-15,19-21,31H,2-3,7,10-13,16-18,30H2,1H3