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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2C=C(C=C(C2=O)C3=CC=CC=C3C#N)C4=CC=CC=N4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1CN2C=C(C=C(C2=O)C3=CC=CC=C3C#N)C4=CC=CC=N4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C31H28N4O3/c32-19-25-10-4-5-11-27(25)28-18-26(29-12-6-7-15-33-29)21-35(30(28)36)20-23-13-16-34(17-14-23)31(37)38-22-24-8-2-1-3-9-24/h1-12,15,18,21,23H,13-14,16-17,20,22H2