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

Systemtic Name: 4-[5-(1-adamantyl)-2-(3-iodanylphenyl)-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[5-(1-adamantyl)-2-(3-iodophenyl)-1H-indol-3-yl]butan-1-amine CAS Name: 4-[5-(1-adamantyl)-2-(3-iodophenyl)-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[5-(1-adamantyl)-2-(3-iodophenyl)-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[5-(1-adamantyl)-2-(3-iodophenyl)-1H-indol-3-yl]butylamine Formula: C28H33IN2 MolecularWeight: 524.47949

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H33IN2/c29-23-5-3-4-21(13-23)27-24(6-1-2-9-30)25-14-22(7-8-26(25)31-27)28-15-18-10-19(16-28)12-20(11-18)17-28/h3-5,7-8,13-14,18-20,31H,1-2,6,9-12,15-17,30H2