tert-butyl 4-[1-(2-cyanopyrimidin-4-yl)piperidin-4-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-(2-cyanopyrimidin-4-yl)piperidin-4-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[1-(2-cyanopyrimidin-4-yl)-4-piperidyl]piperidine-1-carboxylate CAS Name: 4-[1-(2-cyano-4-pyrimidinyl)-4-piperidinyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(2-cyanopyrimidin-4-yl)piperidin-4-yl]piperidine-1-carboxylate Traditional Name: 4-[1-(2-cyanopyrimidin-4-yl)-4-piperidyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C20H29N5O2 MolecularWeight: 371.47656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2CCN(CC2)C3=NC(=NC=C3)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2CCN(CC2)C3=NC(=NC=C3)C#N

InChI

InChI=1S/C20H29N5O2/c1-20(2,3)27-19(26)25-12-7-16(8-13-25)15-5-10-24(11-6-15)18-4-9-22-17(14-21)23-18/h4,9,15-16H,5-8,10-13H2,1-3H3