tert-butyl 4-[4-[(4-fluorophenyl)carbamoyl]phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[(4-fluorophenyl)carbamoyl]phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[(4-fluorophenyl)carbamoyl]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[(4-fluoroanilino)-oxomethyl]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(4-fluorophenyl)carbamoyl]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[(4-fluorophenyl)carbamoyl]phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H26FN3O3 MolecularWeight: 399.458543

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C22H26FN3O3/c1-22(2,3)29-21(28)26-14-12-25(13-15-26)19-10-4-16(5-11-19)20(27)24-18-8-6-17(23)7-9-18/h4-11H,12-15H2,1-3H3,(H,24,27)