tert-butyl 2-[4-(phenylmethyl)-5-(1-pyridin-2-ylpiperidin-4-yl)-1,2,4-triazol-3-yl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[4-(phenylmethyl)-5-(1-pyridin-2-ylpiperidin-4-yl)-1,2,4-triazol-3-yl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[4-benzyl-5-[1-(2-pyridyl)-4-piperidyl]-1,2,4-triazol-3-yl]pyrrolidine-1-carboxylate CAS Name: 2-[4-(phenylmethyl)-5-[1-(2-pyridinyl)-4-piperidinyl]-1,2,4-triazol-3-yl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-benzyl-5-(1-pyridin-2-ylpiperidin-4-yl)-1,2,4-triazol-3-yl]pyrrolidine-1-carboxylate Traditional Name: 2-[4-benzyl-5-[1-(2-pyridyl)-4-piperidyl]-1,2,4-triazol-3-yl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C28H36N6O2 MolecularWeight: 488.62444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C2=NN=C(N2CC3=CC=CC=C3)C4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC1C2=NN=C(N2CC3=CC=CC=C3)C4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C28H36N6O2/c1-28(2,3)36-27(35)33-17-9-12-23(33)26-31-30-25(34(26)20-21-10-5-4-6-11-21)22-14-18-32(19-15-22)24-13-7-8-16-29-24/h4-8,10-11,13,16,22-23H,9,12,14-15,17-20H2,1-3H3