tert-butyl N-[3-[4-cyano-4-(2-cyano-4-fluoranyl-phenyl)piperidin-1-yl]propyl]carbamate

Systemtic Name: tert-butyl N-[3-[4-cyano-4-(2-cyano-4-fluoranyl-phenyl)piperidin-1-yl]propyl]carbamate Openeye Name: tert-butyl N-[3-[4-cyano-4-(2-cyano-4-fluoro-phenyl)-1-piperidyl]propyl]carbamate CAS Name: N-[3-[4-cyano-4-(2-cyano-4-fluorophenyl)-1-piperidinyl]propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[4-cyano-4-(2-cyano-4-fluorophenyl)piperidin-1-yl]propyl]carbamate Traditional Name: N-[3-[4-cyano-4-(2-cyano-4-fluoro-phenyl)piperidino]propyl]carbamic acid tert-butyl ester Formula: C21H27FN4O2 MolecularWeight: 386.463083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCN1CCC(CC1)(C#N)C2=C(C=C(C=C2)F)C#N

Isomeric SMILES

CC(C)(C)OC(=O)NCCCN1CCC(CC1)(C#N)C2=C(C=C(C=C2)F)C#N

InChI

InChI=1S/C21H27FN4O2/c1-20(2,3)28-19(27)25-9-4-10-26-11-7-21(15-24,8-12-26)18-6-5-17(22)13-16(18)14-23/h5-6,13H,4,7-12H2,1-3H3,(H,25,27)