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

Systemtic Name: ethyl 4-[5-(5-oxidanylidene-1H-1,2,4-triazol-4-yl)pyridin-2-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[5-(5-oxo-1H-1,2,4-triazol-4-yl)-2-pyridyl]piperazine-1-carboxylate CAS Name: 4-[5-(5-oxo-1H-1,2,4-triazol-4-yl)-2-pyridinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-(5-oxo-1H-1,2,4-triazol-4-yl)pyridin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[5-(5-keto-1H-1,2,4-triazol-4-yl)-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(CC1)C2=NC=C(C=C2)N3C=NNC3=O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=NC=C(C=C2)N3C=NNC3=O

InChI

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