methyl 1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-3-(1,2,4-triazol-1-yl)propyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-4-carboxylate Traditional Name: 1-[3-(1,2,4-triazol-1-yl)propanoyl]isonipecotic acid methyl ester Formula: C12H18N4O3 MolecularWeight: 266.29632

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)CCN2C=NC=N2

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)CCN2C=NC=N2

InChI

InChI=1S/C12H18N4O3/c1-19-12(18)10-2-5-15(6-3-10)11(17)4-7-16-9-13-8-14-16/h8-10H,2-7H2,1H3