methyl 1-[[1-(2-bromophenyl)-1,2,3-triazol-4-yl]carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[[1-(2-bromophenyl)-1,2,3-triazol-4-yl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[[1-(2-bromophenyl)triazole-4-carbonyl]amino]cyclohexanecarboxylate CAS Name: 1-[[[1-(2-bromophenyl)-4-triazolyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[1-(2-bromophenyl)triazole-4-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 1-[[1-(2-bromophenyl)triazole-4-carbonyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C17H19BrN4O3 MolecularWeight: 407.26176

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCC1)NC(=O)C2=CN(N=N2)C3=CC=CC=C3Br

Isomeric SMILES

COC(=O)C1(CCCCC1)NC(=O)C2=CN(N=N2)C3=CC=CC=C3Br

InChI

InChI=1S/C17H19BrN4O3/c1-25-16(24)17(9-5-2-6-10-17)19-15(23)13-11-22(21-20-13)14-8-4-3-7-12(14)18/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,19,23)