tert-butyl 4-(5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a]azocin-3-yl)-4-naphthalen-2-yl-piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-(5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a]azocin-3-yl)-4-naphthalen-2-yl-piperidine-1-carboxylate Openeye Name: tert-butyl 4-(5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a]azocin-3-yl)-4-(2-naphthyl)piperidine-1-carboxylate CAS Name: 4-(5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a]azocin-3-yl)-4-(2-naphthalenyl)-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a]azocin-3-yl)-4-naphthalen-2-ylpiperidine-1-carboxylate Traditional Name: 4-(5,6,7,8,9,10-hexahydro-[1,2,4]triazol[4,3-a]azocin-3-yl)-4-(2-naphthyl)piperidine-1-carboxylic acid tert-butyl ester Formula: C28H36N4O2 MolecularWeight: 460.61104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)(C2=CC3=CC=CC=C3C=C2)C4=NN=C5N4CCCCCC5

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(C2=CC3=CC=CC=C3C=C2)C4=NN=C5N4CCCCCC5

InChI

InChI=1S/C28H36N4O2/c1-27(2,3)34-26(33)31-18-15-28(16-19-31,23-14-13-21-10-7-8-11-22(21)20-23)25-30-29-24-12-6-4-5-9-17-32(24)25/h7-8,10-11,13-14,20H,4-6,9,12,15-19H2,1-3H3