tert-butyl 4-[2-oxidanyl-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-oxidanyl-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-hydroxy-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazine-1-carboxylate CAS Name: 4-[2-hydroxy-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-hydroxy-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazine-1-carboxylate Traditional Name: 4-[2-hydroxy-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H30N6O3 MolecularWeight: 426.512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CC(CC2=CNC3=C2C=C(C=C3)N4C=NN=C4)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CC(CC2=CNC3=C2C=C(C=C3)N4C=NN=C4)O

InChI

InChI=1S/C22H30N6O3/c1-22(2,3)31-21(30)27-8-6-26(7-9-27)13-18(29)10-16-12-23-20-5-4-17(11-19(16)20)28-14-24-25-15-28/h4-5,11-12,14-15,18,23,29H,6-10,13H2,1-3H3