methyl 1-[2-(1,2,4-triazol-1-yl)ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-(1,2,4-triazol-1-yl)ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-(1,2,4-triazol-1-yl)ethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(1,2,4-triazol-1-yl)acetyl]isonipecotic acid methyl ester Formula: C11H16N4O3 MolecularWeight: 252.26974

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)CN2C=NC=N2

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)CN2C=NC=N2

InChI

InChI=1S/C11H16N4O3/c1-18-11(17)9-2-4-14(5-3-9)10(16)6-15-8-12-7-13-15/h7-9H,2-6H2,1H3