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

Systemtic Name: 4-[5-(1-adamantyl)-2-pyridin-2-yl-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[5-(1-adamantyl)-2-(2-pyridyl)-1H-indol-3-yl]butan-1-amine CAS Name: 4-[5-(1-adamantyl)-2-(2-pyridinyl)-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[5-(1-adamantyl)-2-pyridin-2-yl-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[5-(1-adamantyl)-2-(2-pyridyl)-1H-indol-3-yl]butylamine Formula: C27H33N3 MolecularWeight: 399.57102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC5=C(C=C4)NC(=C5CCCCN)C6=CC=CC=N6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC5=C(C=C4)NC(=C5CCCCN)C6=CC=CC=N6

InChI

InChI=1S/C27H33N3/c28-9-3-1-5-22-23-14-21(27-15-18-11-19(16-27)13-20(12-18)17-27)7-8-24(23)30-26(22)25-6-2-4-10-29-25/h2,4,6-8,10,14,18-20,30H,1,3,5,9,11-13,15-17,28H2