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

Systemtic Name: tert-butyl 4-[4-[5-[2-(cyanomethylcarbamoyl)piperidin-1-yl]-2-fluoranyl-phenyl]phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[5-[2-(cyanomethylcarbamoyl)-1-piperidyl]-2-fluoro-phenyl]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[5-[2-[(cyanomethylamino)-oxomethyl]-1-piperidinyl]-2-fluorophenyl]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[5-[2-(cyanomethylcarbamoyl)piperidin-1-yl]-2-fluorophenyl]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[5-[2-(cyanomethylcarbamoyl)piperidino]-2-fluoro-phenyl]phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C29H36FN5O3 MolecularWeight: 521.626243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H36FN5O3/c1-29(2,3)38-28(37)34-18-16-33(17-19-34)22-9-7-21(8-10-22)24-20-23(11-12-25(24)30)35-15-5-4-6-26(35)27(36)32-14-13-31/h7-12,20,26H,4-6,14-19H2,1-3H3,(H,32,36)