ethyl 4-(5-oxidanylidene-1H-1,2,4-triazol-4-yl)-3-pyridin-2-yl-piperazine-1-carboxylate

Systemtic Name: ethyl 4-(5-oxidanylidene-1H-1,2,4-triazol-4-yl)-3-pyridin-2-yl-piperazine-1-carboxylate Openeye Name: ethyl 4-(5-oxo-1H-1,2,4-triazol-4-yl)-3-(2-pyridyl)piperazine-1-carboxylate CAS Name: 4-(5-oxo-1H-1,2,4-triazol-4-yl)-3-(2-pyridinyl)-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(5-oxo-1H-1,2,4-triazol-4-yl)-3-pyridin-2-ylpiperazine-1-carboxylate Traditional Name: 4-(5-keto-1H-1,2,4-triazol-4-yl)-3-(2-pyridyl)piperazine-1-carboxylic acid ethyl ester Formula: C14H18N6O3 MolecularWeight: 318.33112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(C(C1)C2=CC=CC=N2)N3C=NNC3=O

Isomeric SMILES

CCOC(=O)N1CCN(C(C1)C2=CC=CC=N2)N3C=NNC3=O

InChI

InChI=1S/C14H18N6O3/c1-2-23-14(22)18-7-8-19(20-10-16-17-13(20)21)12(9-18)11-5-3-4-6-15-11/h3-6,10,12H,2,7-9H2,1H3,(H,17,21)