methyl 5-cyano-6-oxidanylidene-4-phenyl-2-(piperidin-1-ylmethyl)-1H-pyridine-3-carboxylate

Systemtic Name: methyl 5-cyano-6-oxidanylidene-4-phenyl-2-(piperidin-1-ylmethyl)-1H-pyridine-3-carboxylate Openeye Name: methyl 5-cyano-6-oxo-4-phenyl-2-(1-piperidylmethyl)-1H-pyridine-3-carboxylate CAS Name: 5-cyano-6-oxo-4-phenyl-2-(1-piperidinylmethyl)-1H-pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 5-cyano-6-oxo-4-phenyl-2-(piperidin-1-ylmethyl)-1H-pyridine-3-carboxylate Traditional Name: 5-cyano-6-keto-4-phenyl-2-(piperidinomethyl)-1H-pyridine-3-carboxylic acid methyl ester Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NC(=O)C(=C1C2=CC=CC=C2)C#N)CN3CCCCC3

Isomeric SMILES

COC(=O)C1=C(NC(=O)C(=C1C2=CC=CC=C2)C#N)CN3CCCCC3

InChI

InChI=1S/C20H21N3O3/c1-26-20(25)18-16(13-23-10-6-3-7-11-23)22-19(24)15(12-21)17(18)14-8-4-2-5-9-14/h2,4-5,8-9H,3,6-7,10-11,13H2,1H3,(H,22,24)