ethyl 4-[[1-(3-bromophenyl)-1,2,3-triazol-4-yl]carbonyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[1-(3-bromophenyl)-1,2,3-triazol-4-yl]carbonyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[1-(3-bromophenyl)triazole-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-(3-bromophenyl)-4-triazolyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-(3-bromophenyl)triazole-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-(3-bromophenyl)triazole-4-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C16H18BrN5O3 MolecularWeight: 408.24982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CN(N=N2)C3=CC(=CC=C3)Br

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CN(N=N2)C3=CC(=CC=C3)Br

InChI

InChI=1S/C16H18BrN5O3/c1-2-25-16(24)21-8-6-20(7-9-21)15(23)14-11-22(19-18-14)13-5-3-4-12(17)10-13/h3-5,10-11H,2,6-9H2,1H3