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

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

Isomeric SMILES

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

InChI

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