ethyl 1-[(4-oxidanylidenecinnolin-1-yl)methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(4-oxidanylidenecinnolin-1-yl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(4-oxocinnolin-1-yl)methyl]piperidine-4-carboxylate CAS Name: 1-[(4-oxo-1-cinnolinyl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-oxocinnolin-1-yl)methyl]piperidine-4-carboxylate Traditional Name: 1-[(4-ketocinnolin-1-yl)methyl]isonipecotic acid ethyl ester Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CN2C3=CC=CC=C3C(=O)C=N2

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CN2C3=CC=CC=C3C(=O)C=N2

InChI

InChI=1S/C17H21N3O3/c1-2-23-17(22)13-7-9-19(10-8-13)12-20-15-6-4-3-5-14(15)16(21)11-18-20/h3-6,11,13H,2,7-10,12H2,1H3