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

Systemtic Name: 4-[5-(1-adamantyl)-2-(2-phenoxyphenyl)-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[5-(1-adamantyl)-2-(2-phenoxyphenyl)-1H-indol-3-yl]butan-1-amine CAS Name: 4-[5-(1-adamantyl)-2-(2-phenoxyphenyl)-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[5-(1-adamantyl)-2-(2-phenoxyphenyl)-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[5-(1-adamantyl)-2-(2-phenoxyphenyl)-1H-indol-3-yl]butylamine Formula: C34H38N2O MolecularWeight: 490.67832

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC5=C(C=C4)NC(=C5CCCCN)C6=CC=CC=C6OC7=CC=CC=C7

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC5=C(C=C4)NC(=C5CCCCN)C6=CC=CC=C6OC7=CC=CC=C7

InChI

InChI=1S/C34H38N2O/c35-15-7-6-10-28-30-19-26(34-20-23-16-24(21-34)18-25(17-23)22-34)13-14-31(30)36-33(28)29-11-4-5-12-32(29)37-27-8-2-1-3-9-27/h1-5,8-9,11-14,19,23-25,36H,6-7,10,15-18,20-22,35H2