tert-butyl 4-[4-[5-[2-(cyanomethylcarbamoyl)piperidin-1-yl]pyridin-3-yl]phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[5-[2-(cyanomethylcarbamoyl)piperidin-1-yl]pyridin-3-yl]phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[5-[2-(cyanomethylcarbamoyl)-1-piperidyl]-3-pyridyl]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[5-[2-[(cyanomethylamino)-oxomethyl]-1-piperidinyl]-3-pyridinyl]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[5-[2-(cyanomethylcarbamoyl)piperidin-1-yl]pyridin-3-yl]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[5-[2-(cyanomethylcarbamoyl)piperidino]-3-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=CC(=CN=C3)N4CCCCC4C(=O)NCC#N

Isomeric SMILES

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

InChI

InChI=1S/C28H36N6O3/c1-28(2,3)37-27(36)33-16-14-32(15-17-33)23-9-7-21(8-10-23)22-18-24(20-30-19-22)34-13-5-4-6-25(34)26(35)31-12-11-29/h7-10,18-20,25H,4-6,12-17H2,1-3H3,(H,31,35)