ethyl 1-(5-oxidanylidene-6-phenyl-2H-1,2,4-triazin-3-yl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-(5-oxidanylidene-6-phenyl-2H-1,2,4-triazin-3-yl)piperidine-4-carboxylate Openeye Name: ethyl 1-(5-oxo-6-phenyl-2H-1,2,4-triazin-3-yl)piperidine-4-carboxylate CAS Name: 1-(5-oxo-6-phenyl-2H-1,2,4-triazin-3-yl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(5-oxo-6-phenyl-2H-1,2,4-triazin-3-yl)piperidine-4-carboxylate Traditional Name: 1-(5-keto-6-phenyl-2H-1,2,4-triazin-3-yl)isonipecotic acid ethyl ester Formula: C17H20N4O3 MolecularWeight: 328.3657

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=NC(=O)C(=NN2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NC(=O)C(=NN2)C3=CC=CC=C3

InChI

InChI=1S/C17H20N4O3/c1-2-24-16(23)13-8-10-21(11-9-13)17-18-15(22)14(19-20-17)12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3,(H,18,20,22)