tert-butyl 4-[4-[6-[2-(cyanomethylcarbamoyl)piperidin-1-yl]pyridin-2-yl]phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[6-[2-(cyanomethylcarbamoyl)piperidin-1-yl]pyridin-2-yl]phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[6-[2-(cyanomethylcarbamoyl)-1-piperidyl]-2-pyridyl]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[6-[2-[(cyanomethylamino)-oxomethyl]-1-piperidinyl]-2-pyridinyl]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[6-[2-(cyanomethylcarbamoyl)piperidin-1-yl]pyridin-2-yl]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[6-[2-(cyanomethylcarbamoyl)piperidino]-2-pyridyl]phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C28H36N6O3 MolecularWeight: 504.62384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)C3=NC(=CC=C3)N4CCCCC4C(=O)NCC#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)C3=NC(=CC=C3)N4CCCCC4C(=O)NCC#N

InChI

InChI=1S/C28H36N6O3/c1-28(2,3)37-27(36)33-19-17-32(18-20-33)22-12-10-21(11-13-22)23-7-6-9-25(31-23)34-16-5-4-8-24(34)26(35)30-15-14-29/h6-7,9-13,24H,4-5,8,15-20H2,1-3H3,(H,30,35)