tert-butyl 4-[2-cyano-3-[(3-fluorophenyl)methylamino]phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-cyano-3-[(3-fluorophenyl)methylamino]phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-cyano-3-[(3-fluorophenyl)methylamino]phenyl]piperazine-1-carboxylate CAS Name: 4-[2-cyano-3-[(3-fluorophenyl)methylamino]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-cyano-3-[(3-fluorophenyl)methylamino]phenyl]piperazine-1-carboxylate Traditional Name: 4-[2-cyano-3-[(3-fluorobenzyl)amino]phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C23H27FN4O2 MolecularWeight: 410.484483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C(=CC=C2)NCC3=CC(=CC=C3)F)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C(=CC=C2)NCC3=CC(=CC=C3)F)C#N

InChI

InChI=1S/C23H27FN4O2/c1-23(2,3)30-22(29)28-12-10-27(11-13-28)21-9-5-8-20(19(21)15-25)26-16-17-6-4-7-18(24)14-17/h4-9,14,26H,10-13,16H2,1-3H3