(phenylmethyl) 4-[3-(2-cyanophenyl)-1-methyl-2-oxidanylidene-5-pyridin-2-yl-pyridin-4-yl]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[3-(2-cyanophenyl)-1-methyl-2-oxidanylidene-5-pyridin-2-yl-pyridin-4-yl]piperidine-1-carboxylate Openeye Name: benzyl 4-[3-(2-cyanophenyl)-1-methyl-2-oxo-5-(2-pyridyl)-4-pyridyl]piperidine-1-carboxylate CAS Name: 4-[3-(2-cyanophenyl)-1-methyl-2-oxo-5-(2-pyridinyl)-4-pyridinyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[3-(2-cyanophenyl)-1-methyl-2-oxo-5-pyridin-2-ylpyridin-4-yl]piperidine-1-carboxylate Traditional Name: 4-[3-(2-cyanophenyl)-2-keto-1-methyl-5-(2-pyridyl)-4-pyridyl]piperidine-1-carboxylic acid benzyl ester Formula: C31H28N4O3 MolecularWeight: 504.57902

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=C(C1=O)C2=CC=CC=C2C#N)C3CCN(CC3)C(=O)OCC4=CC=CC=C4)C5=CC=CC=N5

Isomeric SMILES

CN1C=C(C(=C(C1=O)C2=CC=CC=C2C#N)C3CCN(CC3)C(=O)OCC4=CC=CC=C4)C5=CC=CC=N5

InChI

InChI=1S/C31H28N4O3/c1-34-20-26(27-13-7-8-16-33-27)28(29(30(34)36)25-12-6-5-11-24(25)19-32)23-14-17-35(18-15-23)31(37)38-21-22-9-3-2-4-10-22/h2-13,16,20,23H,14-15,17-18,21H2,1H3