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

Systemtic Name: tert-butyl 4-[[3-(2-cyanophenyl)-2-oxidanylidene-5-pyridin-2-yl-pyridin-1-yl]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 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 tert-butyl ester IUPAC Name: tert-butyl 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 tert-butyl ester Formula: C28H30N4O3 MolecularWeight: 470.5628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CN2C=C(C=C(C2=O)C3=CC=CC=C3C#N)C4=CC=CC=N4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CN2C=C(C=C(C2=O)C3=CC=CC=C3C#N)C4=CC=CC=N4

InChI

InChI=1S/C28H30N4O3/c1-28(2,3)35-27(34)31-14-11-20(12-15-31)18-32-19-22(25-10-6-7-13-30-25)16-24(26(32)33)23-9-5-4-8-21(23)17-29/h4-10,13,16,19-20H,11-12,14-15,18H2,1-3H3