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

Systemtic Name: ethyl 1-[4-(5-oxidanylidene-1H-1,2,4-triazol-4-yl)phenyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[4-(5-oxo-1H-1,2,4-triazol-4-yl)phenyl]piperidine-4-carboxylate CAS Name: 1-[4-(5-oxo-1H-1,2,4-triazol-4-yl)phenyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(5-oxo-1H-1,2,4-triazol-4-yl)phenyl]piperidine-4-carboxylate Traditional Name: 1-[4-(5-keto-1H-1,2,4-triazol-4-yl)phenyl]isonipecotic acid ethyl ester Formula: C16H20N4O3 MolecularWeight: 316.355

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=CC=C(C=C2)N3C=NNC3=O

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=CC=C(C=C2)N3C=NNC3=O

InChI

InChI=1S/C16H20N4O3/c1-2-23-15(21)12-7-9-19(10-8-12)13-3-5-14(6-4-13)20-11-17-18-16(20)22/h3-6,11-12H,2,7-10H2,1H3,(H,18,22)