tert-butyl 4-[1-(5-cyano-2-fluoranyl-phenyl)piperidin-4-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-(5-cyano-2-fluoranyl-phenyl)piperidin-4-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[1-(5-cyano-2-fluoro-phenyl)-4-piperidyl]piperidine-1-carboxylate CAS Name: 4-[1-(5-cyano-2-fluorophenyl)-4-piperidinyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(5-cyano-2-fluorophenyl)piperidin-4-yl]piperidine-1-carboxylate Traditional Name: 4-[1-(5-cyano-2-fluoro-phenyl)-4-piperidyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H30FN3O2 MolecularWeight: 387.490903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30FN3O2/c1-22(2,3)28-21(27)26-12-8-18(9-13-26)17-6-10-25(11-7-17)20-14-16(15-24)4-5-19(20)23/h4-5,14,17-18H,6-13H2,1-3H3