tert-butyl 4-[2-(1,2,4-triazol-1-ylmethyl)phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(1,2,4-triazol-1-ylmethyl)phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(1,2,4-triazol-1-ylmethyl)phenyl]piperazine-1-carboxylate CAS Name: 4-[2-(1,2,4-triazol-1-ylmethyl)phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(1,2,4-triazol-1-ylmethyl)phenyl]piperazine-1-carboxylate Traditional Name: 4-[2-(1,2,4-triazol-1-ylmethyl)phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C18H25N5O2 MolecularWeight: 343.4234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=CC=C2CN3C=NC=N3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=CC=C2CN3C=NC=N3

InChI

InChI=1S/C18H25N5O2/c1-18(2,3)25-17(24)22-10-8-21(9-11-22)16-7-5-4-6-15(16)12-23-14-19-13-20-23/h4-7,13-14H,8-12H2,1-3H3