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

Systemtic Name: 4-[5-(1-adamantyl)-2-(3-phenoxyphenyl)-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[5-(1-adamantyl)-2-(3-phenoxyphenyl)-1H-indol-3-yl]butan-1-amine CAS Name: 4-[5-(1-adamantyl)-2-(3-phenoxyphenyl)-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[5-(1-adamantyl)-2-(3-phenoxyphenyl)-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[5-(1-adamantyl)-2-(3-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=C6)OC7=CC=CC=C7

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC5=C(C=C4)NC(=C5CCCCN)C6=CC(=CC=C6)OC7=CC=CC=C7

InChI

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