(phenylmethyl) 4-[5-(2-chloranylpyridin-3-yl)-3-oxidanylidene-1H-1,2,4-triazol-2-yl]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[5-(2-chloranylpyridin-3-yl)-3-oxidanylidene-1H-1,2,4-triazol-2-yl]piperidine-1-carboxylate Openeye Name: benzyl 4-[5-(2-chloro-3-pyridyl)-3-oxo-1H-1,2,4-triazol-2-yl]piperidine-1-carboxylate CAS Name: 4-[5-(2-chloro-3-pyridinyl)-3-oxo-1H-1,2,4-triazol-2-yl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[5-(2-chloropyridin-3-yl)-3-oxo-1H-1,2,4-triazol-2-yl]piperidine-1-carboxylate Traditional Name: 4-[5-(2-chloro-3-pyridyl)-3-keto-1H-1,2,4-triazol-2-yl]piperidine-1-carboxylic acid benzyl ester Formula: C20H20ClN5O3 MolecularWeight: 413.8575

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C(=O)N=C(N2)C3=C(N=CC=C3)Cl)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1N2C(=O)N=C(N2)C3=C(N=CC=C3)Cl)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C20H20ClN5O3/c21-17-16(7-4-10-22-17)18-23-19(27)26(24-18)15-8-11-25(12-9-15)20(28)29-13-14-5-2-1-3-6-14/h1-7,10,15H,8-9,11-13H2,(H,23,24,27)