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

Systemtic Name: tert-butyl 4-[3-(2-cyanophenyl)-1-methyl-2-oxidanylidene-5-pyridin-2-yl-pyridin-4-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 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 tert-butyl ester IUPAC Name: tert-butyl 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 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)C2=C(C(=O)N(C=C2C3=CC=CC=N3)C)C4=CC=CC=C4C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C(=O)N(C=C2C3=CC=CC=N3)C)C4=CC=CC=C4C#N

InChI

InChI=1S/C28H30N4O3/c1-28(2,3)35-27(34)32-15-12-19(13-16-32)24-22(23-11-7-8-14-30-23)18-31(4)26(33)25(24)21-10-6-5-9-20(21)17-29/h5-11,14,18-19H,12-13,15-16H2,1-4H3