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

Systemtic Name: (phenylmethyl) 4-[3-[3-(2-cyanophenyl)-2-oxidanylidene-5-pyridin-2-yl-pyridin-1-yl]phenoxy]piperidine-1-carboxylate Openeye Name: benzyl 4-[3-[3-(2-cyanophenyl)-2-oxo-5-(2-pyridyl)-1-pyridyl]phenoxy]piperidine-1-carboxylate CAS Name: 4-[3-[3-(2-cyanophenyl)-2-oxo-5-(2-pyridinyl)-1-pyridinyl]phenoxy]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[3-[3-(2-cyanophenyl)-2-oxo-5-pyridin-2-ylpyridin-1-yl]phenoxy]piperidine-1-carboxylate Traditional Name: 4-[3-[3-(2-cyanophenyl)-2-keto-5-(2-pyridyl)-1-pyridyl]phenoxy]piperidine-1-carboxylic acid benzyl ester Formula: C36H30N4O4 MolecularWeight: 582.6478

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=CC=CC(=C2)N3C=C(C=C(C3=O)C4=CC=CC=C4C#N)C5=CC=CC=N5)C(=O)OCC6=CC=CC=C6

Isomeric SMILES

C1CN(CCC1OC2=CC=CC(=C2)N3C=C(C=C(C3=O)C4=CC=CC=C4C#N)C5=CC=CC=N5)C(=O)OCC6=CC=CC=C6

InChI

InChI=1S/C36H30N4O4/c37-23-27-11-4-5-14-32(27)33-21-28(34-15-6-7-18-38-34)24-40(35(33)41)29-12-8-13-31(22-29)44-30-16-19-39(20-17-30)36(42)43-25-26-9-2-1-3-10-26/h1-15,18,21-22,24,30H,16-17,19-20,25H2